Monocarbonsäuren und Derivate

Organische Verbindungen, die eine Carboxylgruppe enthalten; Carboxylgruppen bestehen aus einer Carbonylgruppe, die an eine Hydroxygruppe gebunden ist. Dazu gehören Verbindungen, die aus Monocarbonsäuren abgeleitet werden.

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1,3-Dimethyl-1H-Pyrazol-5-Carboxylsäure, 97%, Acros Organics™

CAS: 5744-56-9 Summenformel: C6H8N2O2 Molekulargewicht (g/mol): 140.14 MDL-Nummer: MFCD00159636 InChI-Schlüssel: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC-Name: 2,5-Dimethylpyrazol-3-carbonsäure SMILES: CN1N=C(C)C=C1C(O)=O

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InChI-Schlüssel	QRWZFUBHOQWUGH-UHFFFAOYSA-N
IUPAC-Name	2,5-Dimethylpyrazol-3-carbonsäure
PubChem CID	587721
CAS	5744-56-9
MDL-Nummer	MFCD00159636
Molekulargewicht (g/mol)	140.14
SMILES	CN1N=C(C)C=C1C(O)=O
Synonym	1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl
Summenformel	C6H8N2O2

1-Methyl-5 -Phenyl-1 H-Pyrazol-3 -Carbonsäure, 97 %, Acros Organics ™

CAS: 10199-53-8 Summenformel: C11H10N2O2 Molekulargewicht (g/mol): 202.21 MDL-Nummer: MFCD08271933 InChI-Schlüssel: ZDUDGEACIDDEPL-UHFFFAOYSA-N Synonym: 1-methyl-5-phenyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylicacid, 1-methyl-5-phenyl,1h-pyrazole-3-carboxylic acid, 1-methyl-5-phenyl,3-carboxy-1-methyl-5-phenyl-1h-pyrazole,1-methyl-5-phenyl pyrazole-3-carboxylic acid,3-carboxy-1-methyl-1h-pyrazol-5-yl benzene,1-methyl-5-phenyl-1h-3-pyrazolecarboxylic acid PubChem CID: 7537619 IUPAC-Name: 1-Methyl-5-phenylpyrazol-3-carbonsäure SMILES: CN1N=C(C=C1C1=CC=CC=C1)C(O)=O

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InChI-Schlüssel	ZDUDGEACIDDEPL-UHFFFAOYSA-N
IUPAC-Name	1-Methyl-5-phenylpyrazol-3-carbonsäure
PubChem CID	7537619
CAS	10199-53-8
MDL-Nummer	MFCD08271933
Molekulargewicht (g/mol)	202.21
SMILES	CN1N=C(C=C1C1=CC=CC=C1)C(O)=O
Synonym	1-methyl-5-phenyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylicacid, 1-methyl-5-phenyl,1h-pyrazole-3-carboxylic acid, 1-methyl-5-phenyl,3-carboxy-1-methyl-5-phenyl-1h-pyrazole,1-methyl-5-phenyl pyrazole-3-carboxylic acid,3-carboxy-1-methyl-1h-pyrazol-5-yl benzene,1-methyl-5-phenyl-1h-3-pyrazolecarboxylic acid
Summenformel	C11H10N2O2

Propylgallat 98 %, Thermo Scientific Chemicals

CAS: 121-79-9 Summenformel: C₁₀H₁₂O₅ Molekulargewicht (g/mol): 212.2 MDL-Nummer: MFCD00002196 InChI-Schlüssel: ZTHYODDOHIVTJV-UHFFFAOYSA-N Synonym: propyl gallate,n-propyl gallate,progallin p,tenox pg,nipagallin p,gallic acid, propyl ester,gallic acid propyl ester,nipa 49,benzoic acid, 3,4,5-trihydroxy-, propyl ester,3,4,5-trihydroxybenzene-1-propylcarboxylate PubChem CID: 4947 ChEBI: CHEBI:10607 IUPAC-Name: propyl 3,4,5-trihydroxybenzoat SMILES: CCCOC(=O)C1=CC(=C(C(=C1)O)O)O

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InChI-Schlüssel	ZTHYODDOHIVTJV-UHFFFAOYSA-N
IUPAC-Name	propyl 3,4,5-trihydroxybenzoat
PubChem CID	4947
CAS	121-79-9
ChEBI	CHEBI:10607
MDL-Nummer	MFCD00002196
Molekulargewicht (g/mol)	212.2
SMILES	CCCOC(=O)C1=CC(=C(C(=C1)O)O)O
Synonym	propyl gallate,n-propyl gallate,progallin p,tenox pg,nipagallin p,gallic acid, propyl ester,gallic acid propyl ester,nipa 49,benzoic acid, 3,4,5-trihydroxy-, propyl ester,3,4,5-trihydroxybenzene-1-propylcarboxylate
Summenformel	C₁₀H₁₂O₅

Trimethylessigsäure 99 %, Thermo Scientific Chemicals

CAS: 75-98-9 Summenformel: C₅H₁₀O₂ Molekulargewicht (g/mol): 102.13 MDL-Nummer: MFCD00004194 InChI-Schlüssel: IUGYQRQAERSCNH-UHFFFAOYSA-N Synonym: pivalic acid,trimethylacetic acid,neopentanoic acid,2,2-dimethylpropionic acid,tert-pentanoic acid,propanoic acid, 2,2-dimethyl,versatic 5,kyselina pivalova,acetic acid, trimethyl,alpha,alpha-dimethylpropionic acid PubChem CID: 6417 ChEBI: CHEBI:45133 IUPAC-Name: 2,2-Dimethylpropansäure SMILES: CC(C)(C)C(=O)O

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InChI-Schlüssel	IUGYQRQAERSCNH-UHFFFAOYSA-N
IUPAC-Name	2,2-Dimethylpropansäure
PubChem CID	6417
CAS	75-98-9
ChEBI	CHEBI:45133
MDL-Nummer	MFCD00004194
Molekulargewicht (g/mol)	102.13
SMILES	CC(C)(C)C(=O)O
Synonym	pivalic acid,trimethylacetic acid,neopentanoic acid,2,2-dimethylpropionic acid,tert-pentanoic acid,propanoic acid, 2,2-dimethyl,versatic 5,kyselina pivalova,acetic acid, trimethyl,alpha,alpha-dimethylpropionic acid
Summenformel	C₅H₁₀O₂

Peroxyessigsäure, Thermo Scientific Chemicals

CAS: 79-21-0 InChI-Schlüssel: KFSLWBXXFJQRDL-UHFFFAOYSA-N Synonym: peracetic acid,peroxyacetic acid,estosteril,acetic peroxide,peroxoacetic acid,monoperacetic acid,osbon ac,acetyl hydroperoxide,proxitane 4002,desoxon 1 PubChem CID: 6585 IUPAC-Name: Ethanperoxosäure SMILES: CC(=O)OO

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InChI-Schlüssel	KFSLWBXXFJQRDL-UHFFFAOYSA-N
IUPAC-Name	Ethanperoxosäure
PubChem CID	6585
CAS	79-21-0
SMILES	CC(=O)OO
Synonym	peracetic acid,peroxyacetic acid,estosteril,acetic peroxide,peroxoacetic acid,monoperacetic acid,osbon ac,acetyl hydroperoxide,proxitane 4002,desoxon 1

Propionsäure, 99%, rein, Thermo Scientific Chemicals

CAS: 79-09-4 InChI-Schlüssel: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonym: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin PubChem CID: 1032 ChEBI: CHEBI:30768 IUPAC-Name: Propansäure SMILES: CCC(=O)O

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InChI-Schlüssel	XBDQKXXYIPTUBI-UHFFFAOYSA-N
IUPAC-Name	Propansäure
PubChem CID	1032
CAS	79-09-4
ChEBI	CHEBI:30768
SMILES	CCC(=O)O
Synonym	propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin

Isopropyl acetate, +99 %, rein, Thermo Scientific Chemicals

CAS: 108-21-4 MDL-Nummer: MFCD00008877 InChI-Schlüssel: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC-Name: 2-Propylacetat SMILES: CC(C)OC(=O)C

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InChI-Schlüssel	JMMWKPVZQRWMSS-UHFFFAOYSA-N
IUPAC-Name	2-Propylacetat
PubChem CID	7915
CAS	108-21-4
MDL-Nummer	MFCD00008877
SMILES	CC(C)OC(=O)C
Synonym	isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester

Methacrylsäure 99.5 %, reinst, stabilisiert, Thermo Scientific Chemicals

CAS: 79-41-4 Molekulargewicht (g/mol): 86.09 MDL-Nummer: MFCD00002651 InChI-Schlüssel: CERQOIWHTDAKMF-UHFFFAOYSA-N Synonym: methacrylic acid,2-methylacrylic acid,2-propenoic acid, 2-methyl,methylacrylic acid,2-methylpropenoic acid,2-methyl-2-propenoic acid,alpha-methacrylic acid,alpha-methylacrylic acid,2-methylenepropionic acid,acrylic acid, 2-methyl PubChem CID: 4093 ChEBI: CHEBI:25219 IUPAC-Name: 2-Methyl-2-propensäure SMILES: CC(=C)C(=O)O

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InChI-Schlüssel	CERQOIWHTDAKMF-UHFFFAOYSA-N
IUPAC-Name	2-Methyl-2-propensäure
PubChem CID	4093
CAS	79-41-4
ChEBI	CHEBI:25219
MDL-Nummer	MFCD00002651
Molekulargewicht (g/mol)	86.09
SMILES	CC(=C)C(=O)O
Synonym	methacrylic acid,2-methylacrylic acid,2-propenoic acid, 2-methyl,methylacrylic acid,2-methylpropenoic acid,2-methyl-2-propenoic acid,alpha-methacrylic acid,alpha-methylacrylic acid,2-methylenepropionic acid,acrylic acid, 2-methyl

Ethylformiat, 98+%, rein, Thermo Scientific Chemicals

CAS: 109-94-4 Summenformel: C3H6O2 Molekulargewicht (g/mol): 74.08 MDL-Nummer: MFCD00003294 InChI-Schlüssel: WBJINCZRORDGAQ-UHFFFAOYSA-N Synonym: areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat PubChem CID: 8025 ChEBI: CHEBI:52342 IUPAC-Name: Ethylformiat SMILES: CCOC=O

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InChI-Schlüssel	WBJINCZRORDGAQ-UHFFFAOYSA-N
IUPAC-Name	Ethylformiat
PubChem CID	8025
CAS	109-94-4
ChEBI	CHEBI:52342
MDL-Nummer	MFCD00003294
Molekulargewicht (g/mol)	74.08
SMILES	CCOC=O
Synonym	areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat
Summenformel	C3H6O2

1-Naphthylessigsäure, 95 %, Thermo Scientific Chemicals ™

CAS: 86-87-3 Summenformel: C12H10O2 Molekulargewicht (g/mol): 186.21 MDL-Nummer: MFCD00004046 InChI-Schlüssel: PRPINYUDVPFIRX-UHFFFAOYSA-N Synonym: 1-naphthylacetic acid,1-naphthaleneacetic acid,2-naphthalen-1-yl acetic acid,naphthalene-1-acetic acid,transplantone,phyomone,planofix,1-naphthalene acetic acid,fruitone n,stop-drop PubChem CID: 6862 ChEBI: CHEBI:32918 IUPAC-Name: 2-(1-Naphthyl)essigsäure SMILES: OC(=O)CC1=C2C=CC=CC2=CC=C1

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InChI-Schlüssel	PRPINYUDVPFIRX-UHFFFAOYSA-N
IUPAC-Name	2-(1-Naphthyl)essigsäure
PubChem CID	6862
CAS	86-87-3
ChEBI	CHEBI:32918
MDL-Nummer	MFCD00004046
Molekulargewicht (g/mol)	186.21
SMILES	OC(=O)CC1=C2C=CC=CC2=CC=C1
Synonym	1-naphthylacetic acid,1-naphthaleneacetic acid,2-naphthalen-1-yl acetic acid,naphthalene-1-acetic acid,transplantone,phyomone,planofix,1-naphthalene acetic acid,fruitone n,stop-drop
Summenformel	C12H10O2

3-Mercaptopropionsäure +99 %, Thermo Scientific Chemicals

CAS: 107-96-0 Summenformel: C₃H₆O₂S Molekulargewicht (g/mol): 106.14 MDL-Nummer: MFCD00004897 InChI-Schlüssel: DKIDEFUBRARXTE-UHFFFAOYSA-N Synonym: 3-mercaptopropionic acid,3-mercaptopropanoic acid,3-thiopropionic acid,3-thiopropanoic acid,propanoic acid, 3-mercapto,beta-mercaptopropionic acid,3mpa,mercaptopropionic acid,beta-thiopropionic acid,2-mercaptoethanecarboxylic acid PubChem CID: 6514 ChEBI: CHEBI:44111 IUPAC-Name: 3-Sulfanylpropansäure SMILES: C(CS)C(=O)O

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InChI-Schlüssel	DKIDEFUBRARXTE-UHFFFAOYSA-N
IUPAC-Name	3-Sulfanylpropansäure
PubChem CID	6514
CAS	107-96-0
ChEBI	CHEBI:44111
MDL-Nummer	MFCD00004897
Molekulargewicht (g/mol)	106.14
SMILES	C(CS)C(=O)O
Synonym	3-mercaptopropionic acid,3-mercaptopropanoic acid,3-thiopropionic acid,3-thiopropanoic acid,propanoic acid, 3-mercapto,beta-mercaptopropionic acid,3mpa,mercaptopropionic acid,beta-thiopropionic acid,2-mercaptoethanecarboxylic acid
Summenformel	C₃H₆O₂S

Methylformiat, 97 %, rein, Thermo Scientific Chemicals

CAS: 107-31-3 Summenformel: C2H4O2 Molekulargewicht (g/mol): 60.05 MDL-Nummer: MFCD00003291 InChI-Schlüssel: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC-Name: Methylformiat SMILES: COC=O

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InChI-Schlüssel	TZIHFWKZFHZASV-UHFFFAOYSA-N
IUPAC-Name	Methylformiat
PubChem CID	7865
CAS	107-31-3
ChEBI	CHEBI:77699
MDL-Nummer	MFCD00003291
Molekulargewicht (g/mol)	60.05
SMILES	COC=O
Synonym	formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3
Summenformel	C2H4O2

Isoamylacetat, +99 %, rein, Thermo Scientific Chemicals

CAS: 123-92-2 Summenformel: C7H14O2 Molekulargewicht (g/mol): 130.19 MDL-Nummer: MFCD00008946 InChI-Schlüssel: MLFHJEHSLIIPHL-UHFFFAOYSA-N Synonym: isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate PubChem CID: 31276 ChEBI: CHEBI:31725 IUPAC-Name: 3-Methylbutylacetat SMILES: CC(C)CCOC(C)=O

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InChI-Schlüssel	MLFHJEHSLIIPHL-UHFFFAOYSA-N
IUPAC-Name	3-Methylbutylacetat
PubChem CID	31276
CAS	123-92-2
ChEBI	CHEBI:31725
MDL-Nummer	MFCD00008946
Molekulargewicht (g/mol)	130.19
SMILES	CC(C)CCOC(C)=O
Synonym	isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate
Summenformel	C7H14O2

Eisessigsäure, Ammoniumsalz, 98 %, rein, Thermo Scientific Chemicals

CAS: 631-61-8 Summenformel: C₂H₇NO₂ Molekulargewicht (g/mol): 77.08 InChI-Schlüssel: USFZMSVCRYTOJT-UHFFFAOYSA-N Synonym: ammonium acetate,acetic acid, ammonium salt,azanium acetate,ammoniumacetate,acetic acid ammonium salt,ammonium ethanoate,unii-rre756s6q2,aconh4,ch3coonh4,ch3co2nh4 PubChem CID: 517165 ChEBI: CHEBI:62947 IUPAC-Name: Azanium; Acetat SMILES: CC(=O)[O-].[NH4+]

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InChI-Schlüssel	USFZMSVCRYTOJT-UHFFFAOYSA-N
IUPAC-Name	Azanium; Acetat
PubChem CID	517165
CAS	631-61-8
ChEBI	CHEBI:62947
Molekulargewicht (g/mol)	77.08
SMILES	CC(=O)[O-].[NH4+]
Synonym	ammonium acetate,acetic acid, ammonium salt,azanium acetate,ammoniumacetate,acetic acid ammonium salt,ammonium ethanoate,unii-rre756s6q2,aconh4,ch3coonh4,ch3co2nh4
Summenformel	C₂H₇NO₂

tert-Butylacetat, 99%, Thermo Scientific Chemicals

CAS: 540-88-5 Summenformel: C₆H₁₂O₂ Molekulargewicht (g/mol): 116.16 MDL-Nummer: MFCD00008807 InChI-Schlüssel: WMOVHXAZOJBABW-UHFFFAOYSA-N Synonym: t-butyl acetate,acetic acid tert-butyl ester,tert-butyl ethanoate,acetic acid, 1,1-dimethylethyl ester,texaco lead appreciator,acetic acid, tert-butyl ester,tert-butylacetate,tert butyl acetate,1,1-dimethylethyl acetate,1,1-dimethyl acetate PubChem CID: 10908 IUPAC-Name: tert-Butylacetat SMILES: CC(=O)OC(C)(C)C

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InChI-Schlüssel	WMOVHXAZOJBABW-UHFFFAOYSA-N
IUPAC-Name	tert-Butylacetat
PubChem CID	10908
CAS	540-88-5
MDL-Nummer	MFCD00008807
Molekulargewicht (g/mol)	116.16
SMILES	CC(=O)OC(C)(C)C
Synonym	t-butyl acetate,acetic acid tert-butyl ester,tert-butyl ethanoate,acetic acid, 1,1-dimethylethyl ester,texaco lead appreciator,acetic acid, tert-butyl ester,tert-butylacetate,tert butyl acetate,1,1-dimethylethyl acetate,1,1-dimethyl acetate
Summenformel	C₆H₁₂O₂

Monocarbonsäuren und Derivate

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