Carboxylic acids and derivatives
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CAS: 16485-10-2
| CAS | 16485-10-2 |
|---|
2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl isothiocyanate, ≥98.0% (HPLC), MilliporeSigma™ Supelco™
MDL Number: MFCD00043085 Synonym: GITC
| MDL Number | MFCD00043085 |
|---|---|
| Synonym | GITC |
Ethyl cyanoformate, 99%
CAS: 623-49-4 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.09 MDL Number: MFCD00001836 InChI Key: MSMGXWFHBSCQFB-UHFFFAOYSA-N Synonym: carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate PubChem CID: 69336 IUPAC Name: ethyl cyanoformate SMILES: CCOC(=O)C#N
| PubChem CID | 69336 |
|---|---|
| CAS | 623-49-4 |
| Molecular Weight (g/mol) | 99.09 |
| MDL Number | MFCD00001836 |
| SMILES | CCOC(=O)C#N |
| Synonym | carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate |
| IUPAC Name | ethyl cyanoformate |
| InChI Key | MSMGXWFHBSCQFB-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO2 |
Benzyl methacrylate, 98%, stab. with ca 50-100ppm 4-methoxyphenol
CAS: 2495-37-6 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00053684 InChI Key: AOJOEFVRHOZDFN-UHFFFAOYSA-N Synonym: benzyl methacrylate,2-propenoic acid, 2-methyl-, phenylmethyl ester,benzylmethacrylate,methacrylic acid benzyl ester,methacrylic acid, benzyl ester,unii-z3248k2ssm,phenylmethyl 2-methylprop-2-enoate,poly benzylmethacrylate,bzma,methacrylic acid benzyl PubChem CID: 17236 IUPAC Name: benzyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC1=CC=CC=C1
| PubChem CID | 17236 |
|---|---|
| CAS | 2495-37-6 |
| Molecular Weight (g/mol) | 176.215 |
| MDL Number | MFCD00053684 |
| SMILES | CC(=C)C(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl methacrylate,2-propenoic acid, 2-methyl-, phenylmethyl ester,benzylmethacrylate,methacrylic acid benzyl ester,methacrylic acid, benzyl ester,unii-z3248k2ssm,phenylmethyl 2-methylprop-2-enoate,poly benzylmethacrylate,bzma,methacrylic acid benzyl |
| IUPAC Name | benzyl 2-methylprop-2-enoate |
| InChI Key | AOJOEFVRHOZDFN-UHFFFAOYSA-N |
| Molecular Formula | C11H12O2 |
Methyl oxalyl chloride, 97%
CAS: 5781-53-3 Molecular Formula: C3H3ClO3 Molecular Weight (g/mol): 122.504 MDL Number: MFCD00000705 InChI Key: ZXUQEPZWVQIOJE-UHFFFAOYSA-N Synonym: methyl oxalyl chloride,methyl chloroglyoxylate,methyl chlorooxoacetate,chloroglyoxylic acid methyl ester,acetic acid, chlorooxo-, methyl ester,methyl chlorocarbonyl formate,methyloxalylchloride,methyl chloro oxo acetate,methylchlorooxoacetate,methyl 2-chloro-2-oxo-acetate PubChem CID: 79846 IUPAC Name: methyl 2-chloro-2-oxoacetate SMILES: COC(=O)C(=O)Cl
| PubChem CID | 79846 |
|---|---|
| CAS | 5781-53-3 |
| Molecular Weight (g/mol) | 122.504 |
| MDL Number | MFCD00000705 |
| SMILES | COC(=O)C(=O)Cl |
| Synonym | methyl oxalyl chloride,methyl chloroglyoxylate,methyl chlorooxoacetate,chloroglyoxylic acid methyl ester,acetic acid, chlorooxo-, methyl ester,methyl chlorocarbonyl formate,methyloxalylchloride,methyl chloro oxo acetate,methylchlorooxoacetate,methyl 2-chloro-2-oxo-acetate |
| IUPAC Name | methyl 2-chloro-2-oxoacetate |
| InChI Key | ZXUQEPZWVQIOJE-UHFFFAOYSA-N |
| Molecular Formula | C3H3ClO3 |
1-Benzoylpiperazine, 97%
CAS: 13754-38-6 Molecular Formula: C11H14N2O Molecular Weight (g/mol): 190.246 MDL Number: MFCD00810192 InChI Key: VUNXBQRNMNVUMV-UHFFFAOYSA-N Synonym: 1-benzoylpiperazine,n-benzoylpiperazine,phenyl-piperazin-1-yl-methanone,1-benzoyl piperazine,1-benzoyl-piperazine,phenyl piperazin-1-yl methanone,piperazine, 1-benzoyl,phenyl piperazinyl ketone,phenyl piperazin-4-ium-1-yl methanone,1-phenylcarbonyl piperazine PubChem CID: 762654 IUPAC Name: phenyl(piperazin-1-yl)methanone SMILES: C1CN(CCN1)C(=O)C2=CC=CC=C2
| PubChem CID | 762654 |
|---|---|
| CAS | 13754-38-6 |
| Molecular Weight (g/mol) | 190.246 |
| MDL Number | MFCD00810192 |
| SMILES | C1CN(CCN1)C(=O)C2=CC=CC=C2 |
| Synonym | 1-benzoylpiperazine,n-benzoylpiperazine,phenyl-piperazin-1-yl-methanone,1-benzoyl piperazine,1-benzoyl-piperazine,phenyl piperazin-1-yl methanone,piperazine, 1-benzoyl,phenyl piperazinyl ketone,phenyl piperazin-4-ium-1-yl methanone,1-phenylcarbonyl piperazine |
| IUPAC Name | phenyl(piperazin-1-yl)methanone |
| InChI Key | VUNXBQRNMNVUMV-UHFFFAOYSA-N |
| Molecular Formula | C11H14N2O |
3,5-Dimethyladamantane-1-carboxylic acid, 97%
CAS: 14670-94-1 Molecular Formula: C13H19O2 Molecular Weight (g/mol): 207.29 MDL Number: MFCD00188067 InChI Key: BSWOQWGHXZTDOO-QGVZIFMBSA-M Synonym: 3,5-dimethyl-1-adamantanecarboxylic acid,1,3-dimethyladamantan-5-carboxylic acid,3,5-dimethyladamantanecarboxylic acid,maybridge1_002240,3,5-dimethyltricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3,5-dimethyl adamantane-1-carboxylic acid,acmc-20ancb,3,5-dimethyladamantane carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5-dimethyl PubChem CID: 2736224 IUPAC Name: 3,5-dimethyladamantane-1-carboxylic acid SMILES: C[C@@]12CC3C[C@@](C)(C1)CC(C3)(C2)C([O-])=O
| PubChem CID | 2736224 |
|---|---|
| CAS | 14670-94-1 |
| Molecular Weight (g/mol) | 207.29 |
| MDL Number | MFCD00188067 |
| SMILES | C[C@@]12CC3C[C@@](C)(C1)CC(C3)(C2)C([O-])=O |
| Synonym | 3,5-dimethyl-1-adamantanecarboxylic acid,1,3-dimethyladamantan-5-carboxylic acid,3,5-dimethyladamantanecarboxylic acid,maybridge1_002240,3,5-dimethyltricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3,5-dimethyl adamantane-1-carboxylic acid,acmc-20ancb,3,5-dimethyladamantane carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5-dimethyl |
| IUPAC Name | 3,5-dimethyladamantane-1-carboxylic acid |
| InChI Key | BSWOQWGHXZTDOO-QGVZIFMBSA-M |
| Molecular Formula | C13H19O2 |
2-Methylcyclopropanecarboxylic acid, cis + trans, 96%
CAS: 29555-02-0 Molecular Formula: C5H7O2 Molecular Weight (g/mol): 99.11 MDL Number: MFCD00001293 InChI Key: AYEGPMGNMOIHDL-IUYQGCFVSA-M Synonym: 2-methylcyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2-methyl,2-methyl-1-cyclopropanecarboxylic acid,trans-2-methylcyclopropanecarboxylic acid,cis-2-methylcyclopropanecarboxylic acid,acmc-1cg8e,2-methyl-cyclopropanecarboxylic acid,2-methyl cyclopropane carboxylic acid,cyclopropanecarboxylicacid, 2-methyl PubChem CID: 99873 IUPAC Name: 2-methylcyclopropane-1-carboxylic acid SMILES: C[C@H]1C[C@H]1C([O-])=O
| PubChem CID | 99873 |
|---|---|
| CAS | 29555-02-0 |
| Molecular Weight (g/mol) | 99.11 |
| MDL Number | MFCD00001293 |
| SMILES | C[C@H]1C[C@H]1C([O-])=O |
| Synonym | 2-methylcyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2-methyl,2-methyl-1-cyclopropanecarboxylic acid,trans-2-methylcyclopropanecarboxylic acid,cis-2-methylcyclopropanecarboxylic acid,acmc-1cg8e,2-methyl-cyclopropanecarboxylic acid,2-methyl cyclopropane carboxylic acid,cyclopropanecarboxylicacid, 2-methyl |
| IUPAC Name | 2-methylcyclopropane-1-carboxylic acid |
| InChI Key | AYEGPMGNMOIHDL-IUYQGCFVSA-M |
| Molecular Formula | C5H7O2 |
Malonamamidine hydrochloride, 98+%
CAS: 34570-17-7 Molecular Formula: C3H7ClN3O Molecular Weight (g/mol): 136.56 MDL Number: MFCD00013007 InChI Key: MDSJPVJGEXMXIC-UHFFFAOYSA-N Synonym: malonamamidine hydrochloride,3-amino-3-iminopropanamide hydrochloride,amidinomalonamide hydrochloride,2-carbamimidoylacetamide hydrochloride,propanamide, 3-amino-3-imino-, monohydrochloride,amidinomalonamide hcl,amindinomalonamide,malonamideamidine hydrochloride,tos-bb-1115 PubChem CID: 3084595 IUPAC Name: 3-amino-3-iminopropanamide;hydrochloride SMILES: [Cl].NC(=N)CC(N)=O
| PubChem CID | 3084595 |
|---|---|
| CAS | 34570-17-7 |
| Molecular Weight (g/mol) | 136.56 |
| MDL Number | MFCD00013007 |
| SMILES | [Cl].NC(=N)CC(N)=O |
| Synonym | malonamamidine hydrochloride,3-amino-3-iminopropanamide hydrochloride,amidinomalonamide hydrochloride,2-carbamimidoylacetamide hydrochloride,propanamide, 3-amino-3-imino-, monohydrochloride,amidinomalonamide hcl,amindinomalonamide,malonamideamidine hydrochloride,tos-bb-1115 |
| IUPAC Name | 3-amino-3-iminopropanamide;hydrochloride |
| InChI Key | MDSJPVJGEXMXIC-UHFFFAOYSA-N |
| Molecular Formula | C3H7ClN3O |
1H-Indazole-3-carboxylic acid, 98%
CAS: 4498-67-3 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00211066 InChI Key: BHXVYTQDWMQVBI-UHFFFAOYSA-N Synonym: indazole-3-carboxylic acid,3-carboxyindazole,3-indazolecarboxylic acid,indazole-3-carboxylicacid,1h-indazol-3-carbonic acid,2h-indazole-3-carboxylic acid,3-carboxy-1h-indazole,1h-indazole-3-carbonic acid,1-h-indazole-3-carboxylic acid,benzopyrazole-3-carboxylic acid PubChem CID: 78250 IUPAC Name: 1H-indazole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=NN2)C(=O)O
| PubChem CID | 78250 |
|---|---|
| CAS | 4498-67-3 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD00211066 |
| SMILES | C1=CC=C2C(=C1)C(=NN2)C(=O)O |
| Synonym | indazole-3-carboxylic acid,3-carboxyindazole,3-indazolecarboxylic acid,indazole-3-carboxylicacid,1h-indazol-3-carbonic acid,2h-indazole-3-carboxylic acid,3-carboxy-1h-indazole,1h-indazole-3-carbonic acid,1-h-indazole-3-carboxylic acid,benzopyrazole-3-carboxylic acid |
| IUPAC Name | 1H-indazole-3-carboxylic acid |
| InChI Key | BHXVYTQDWMQVBI-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
Cyclohexyl methacrylate, 97%, stab. with ca 50ppm 4-methoxyphenol, Thermo Scientific Chemicals
CAS: 101-43-9 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.24 MDL Number: MFCD00014292 InChI Key: OIWOHHBRDFKZNC-UHFFFAOYSA-N Synonym: cyclohexyl methacrylate,methacrylic acid, cyclohexyl ester,2-propenoic acid, 2-methyl-, cyclohexyl ester,unii-5l9uuv9t6q,2-methyl-2-propenoic acid cyclohexyl ester,5l9uuv9t6q,methacrylic acid cyclohexyl ester,ageflex chma,c-hma,cyclo hexyl methacrylate PubChem CID: 7561 IUPAC Name: cyclohexyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC1CCCCC1
| PubChem CID | 7561 |
|---|---|
| CAS | 101-43-9 |
| Molecular Weight (g/mol) | 168.24 |
| MDL Number | MFCD00014292 |
| SMILES | CC(=C)C(=O)OC1CCCCC1 |
| Synonym | cyclohexyl methacrylate,methacrylic acid, cyclohexyl ester,2-propenoic acid, 2-methyl-, cyclohexyl ester,unii-5l9uuv9t6q,2-methyl-2-propenoic acid cyclohexyl ester,5l9uuv9t6q,methacrylic acid cyclohexyl ester,ageflex chma,c-hma,cyclo hexyl methacrylate |
| IUPAC Name | cyclohexyl 2-methylprop-2-enoate |
| InChI Key | OIWOHHBRDFKZNC-UHFFFAOYSA-N |
| Molecular Formula | C10H16O2 |
1,2,4-Benzenetricarboxylic anhydride, 97%
CAS: 552-30-7 MDL Number: MFCD00005925 InChI Key: SRPWOOOHEPICQU-UHFFFAOYSA-N Synonym: trimellitic anhydride,1,2,4-benzenetricarboxylic anhydride,anhydrotrimellic acid,trimellitic acid anhydride,4-carboxyphthalic anhydride,tman,anhydrotrimellitic acid,trimellic acid anhydride,1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylic acid,trimellitic acid 1,2-anhydride PubChem CID: 11089 ChEBI: CHEBI:53050 IUPAC Name: 1,3-dioxo-2-benzofuran-5-carboxylic acid SMILES: C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O
| PubChem CID | 11089 |
|---|---|
| CAS | 552-30-7 |
| ChEBI | CHEBI:53050 |
| MDL Number | MFCD00005925 |
| SMILES | C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O |
| Synonym | trimellitic anhydride,1,2,4-benzenetricarboxylic anhydride,anhydrotrimellic acid,trimellitic acid anhydride,4-carboxyphthalic anhydride,tman,anhydrotrimellitic acid,trimellic acid anhydride,1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylic acid,trimellitic acid 1,2-anhydride |
| IUPAC Name | 1,3-dioxo-2-benzofuran-5-carboxylic acid |
| InChI Key | SRPWOOOHEPICQU-UHFFFAOYSA-N |
Methyl cyclopentanecarboxylate, 97%
CAS: 4630-80-2 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00019290 InChI Key: IIHIJFJSXPDTNO-UHFFFAOYSA-N Synonym: cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl PubChem CID: 78365 IUPAC Name: methyl cyclopentanecarboxylate SMILES: COC(=O)C1CCCC1
| PubChem CID | 78365 |
|---|---|
| CAS | 4630-80-2 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00019290 |
| SMILES | COC(=O)C1CCCC1 |
| Synonym | cyclopentanecarboxylic acid, methyl ester,cyclopentanecarboxylic acid methyl ester,methyl cyclopentanoate,acmc-1am5n,methylcyclopentanecarboxylate,methylcyclopentane carboxylate,methyl cyclopentane carboxylate,methyl-1-cyclopentanecarboxylate,cyclopentanoic acid methyl ester,cyclopentanecarboxylic acid methyl |
| IUPAC Name | methyl cyclopentanecarboxylate |
| InChI Key | IIHIJFJSXPDTNO-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
(-)-Epicatechin gallate, Thermo Scientific Chemicals
CAS: 1257-08-5 Molecular Formula: C22H18O10 Molecular Weight (g/mol): 442.376 MDL Number: MFCD00075936 InChI Key: LSHVYAFMTMFKBA-TZIWHRDSSA-N Synonym: =--epicatechin gallate,epicatechin gallate,=--epicatechin-3-o-gallate,l-epicatechin gallate,=--epicatechin-3-gallate,=--epicatechingallate,epicatechin monogallate,--epicatechin 3-o-gallate,teatannin,epicatechol, gallate PubChem CID: 107905 ChEBI: CHEBI:70255 IUPAC Name: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
| PubChem CID | 107905 |
|---|---|
| CAS | 1257-08-5 |
| Molecular Weight (g/mol) | 442.376 |
| ChEBI | CHEBI:70255 |
| MDL Number | MFCD00075936 |
| SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| Synonym | =--epicatechin gallate,epicatechin gallate,=--epicatechin-3-o-gallate,l-epicatechin gallate,=--epicatechin-3-gallate,=--epicatechingallate,epicatechin monogallate,--epicatechin 3-o-gallate,teatannin,epicatechol, gallate |
| IUPAC Name | [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| InChI Key | LSHVYAFMTMFKBA-TZIWHRDSSA-N |
| Molecular Formula | C22H18O10 |
A-803467, 98%, Thermo Scientific Chemicals
CAS: 944261-79-4 Molecular Formula: C19H16ClNO4 Molecular Weight (g/mol): 357.79 MDL Number: MFCD10574689 InChI Key: VHKBTPQDHDSBSP-UHFFFAOYSA-N PubChem CID: 16038374 IUPAC Name: 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide SMILES: COC1=CC(OC)=CC(NC(=O)C2=CC=C(O2)C2=CC=C(Cl)C=C2)=C1
| PubChem CID | 16038374 |
|---|---|
| CAS | 944261-79-4 |
| Molecular Weight (g/mol) | 357.79 |
| MDL Number | MFCD10574689 |
| SMILES | COC1=CC(OC)=CC(NC(=O)C2=CC=C(O2)C2=CC=C(Cl)C=C2)=C1 |
| IUPAC Name | 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide |
| InChI Key | VHKBTPQDHDSBSP-UHFFFAOYSA-N |
| Molecular Formula | C19H16ClNO4 |