Organic acids and derivatives
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Benzyl Laurate 98.0+%, TCI America™
CAS: 140-25-0 Molecular Formula: C19H30O2 Molecular Weight (g/mol): 290.447 MDL Number: MFCD00026558 InChI Key: QNRYOQRUGRVBRL-UHFFFAOYSA-N Synonym: Lauric Acid Benzyl Ester PubChem CID: 8791 IUPAC Name: benzyl dodecanoate SMILES: CCCCCCCCCCCC(=O)OCC1=CC=CC=C1
| PubChem CID | 8791 |
|---|---|
| CAS | 140-25-0 |
| Molecular Weight (g/mol) | 290.447 |
| MDL Number | MFCD00026558 |
| SMILES | CCCCCCCCCCCC(=O)OCC1=CC=CC=C1 |
| Synonym | Lauric Acid Benzyl Ester |
| IUPAC Name | benzyl dodecanoate |
| InChI Key | QNRYOQRUGRVBRL-UHFFFAOYSA-N |
| Molecular Formula | C19H30O2 |
Khellin 95.0+%, TCI America™
CAS: 82-02-0 Molecular Formula: C14H12O5 Molecular Weight (g/mol): 260.245 MDL Number: MFCD00005007 InChI Key: HSMPDPBYAYSOBC-UHFFFAOYSA-N Synonym: khellin,visammin,amicardine,methafrone,coronin,amikellin,ammipuran,ammivisnagen,benecardin,corafurone PubChem CID: 3828 ChEBI: CHEBI:6133 IUPAC Name: 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one SMILES: CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC
| PubChem CID | 3828 |
|---|---|
| CAS | 82-02-0 |
| Molecular Weight (g/mol) | 260.245 |
| ChEBI | CHEBI:6133 |
| MDL Number | MFCD00005007 |
| SMILES | CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC |
| Synonym | khellin,visammin,amicardine,methafrone,coronin,amikellin,ammipuran,ammivisnagen,benecardin,corafurone |
| IUPAC Name | 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one |
| InChI Key | HSMPDPBYAYSOBC-UHFFFAOYSA-N |
| Molecular Formula | C14H12O5 |
Ethyl 3-Mercaptopropionate 98.0+%, TCI America™
CAS: 5466-06-8 Molecular Formula: C5H10O2S Molecular Weight (g/mol): 134.19 MDL Number: MFCD00004896 InChI Key: CJQWLNNCQIHKHP-UHFFFAOYSA-N Synonym: ethyl 3-mercaptopropionate,propanoic acid, 3-mercapto-, ethyl ester,3-mercaptopropanoic acid ethyl ester,3-mercaptopropionic acid ethyl ester,ethyl 3-mercaptopropanoate,ethyl beta-mercaptopropionate,unii-22gqz8p70d,propionic acid, 3-mercapto-, ethyl ester,ethyl 3-mercaptopropanoic acid,ethyl .beta.-mercaptopropionate PubChem CID: 21625 IUPAC Name: ethyl 3-sulfanylpropanoate SMILES: CCOC(=O)CCS
| PubChem CID | 21625 |
|---|---|
| CAS | 5466-06-8 |
| Molecular Weight (g/mol) | 134.19 |
| MDL Number | MFCD00004896 |
| SMILES | CCOC(=O)CCS |
| Synonym | ethyl 3-mercaptopropionate,propanoic acid, 3-mercapto-, ethyl ester,3-mercaptopropanoic acid ethyl ester,3-mercaptopropionic acid ethyl ester,ethyl 3-mercaptopropanoate,ethyl beta-mercaptopropionate,unii-22gqz8p70d,propionic acid, 3-mercapto-, ethyl ester,ethyl 3-mercaptopropanoic acid,ethyl .beta.-mercaptopropionate |
| IUPAC Name | ethyl 3-sulfanylpropanoate |
| InChI Key | CJQWLNNCQIHKHP-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2S |
1-Methylindazole-3-carboxylic Acid 98.0+%, TCI America™
CAS: 50890-83-0 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 MDL Number: MFCD00272569 InChI Key: OVVDFORZEGKEJM-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-3-carboxylic acid,n-methyl-indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylic acid,1h-indazole-3-carboxylic acid, 1-methyl,1-methyl-indazole-3-carboxylic acid,n-methylindazole-3-carboxylic acid,1-methylindozole-3-carboxylic acid,n-methyl-indozole-3-carboxylic acid,n-methyl-1h indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylicacid PubChem CID: 689105 IUPAC Name: 1-methylindazole-3-carboxylic acid SMILES: CN1C2=CC=CC=C2C(=N1)C(=O)O
| PubChem CID | 689105 |
|---|---|
| CAS | 50890-83-0 |
| Molecular Weight (g/mol) | 176.175 |
| MDL Number | MFCD00272569 |
| SMILES | CN1C2=CC=CC=C2C(=N1)C(=O)O |
| Synonym | 1-methyl-1h-indazole-3-carboxylic acid,n-methyl-indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylic acid,1h-indazole-3-carboxylic acid, 1-methyl,1-methyl-indazole-3-carboxylic acid,n-methylindazole-3-carboxylic acid,1-methylindozole-3-carboxylic acid,n-methyl-indozole-3-carboxylic acid,n-methyl-1h indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylicacid |
| IUPAC Name | 1-methylindazole-3-carboxylic acid |
| InChI Key | OVVDFORZEGKEJM-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O2 |
4-Methyl-2-propyl-6-benzimidazolecarboxylic Acid 98.0+%, TCI America™
CAS: 152628-03-0 Molecular Formula: C12H14N2O2 Molecular Weight (g/mol): 218.256 MDL Number: MFCD06656215 InChI Key: XWAJTVCEILFDGU-UHFFFAOYSA-N Synonym: 6-Carboxy-4-methyl-2-propylbenzimidazole PubChem CID: 10262831 IUPAC Name: 7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid SMILES: CCCC1=NC2=C(C=C(C=C2N1)C(=O)O)C
| PubChem CID | 10262831 |
|---|---|
| CAS | 152628-03-0 |
| Molecular Weight (g/mol) | 218.256 |
| MDL Number | MFCD06656215 |
| SMILES | CCCC1=NC2=C(C=C(C=C2N1)C(=O)O)C |
| Synonym | 6-Carboxy-4-methyl-2-propylbenzimidazole |
| IUPAC Name | 7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid |
| InChI Key | XWAJTVCEILFDGU-UHFFFAOYSA-N |
| Molecular Formula | C12H14N2O2 |
1-Methylpyrazole-4-carboxylic Acid 98.0+%, TCI America™
CAS: 5952-92-1 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.115 MDL Number: MFCD00159641 InChI Key: UPPPWUOZCSMDTR-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-4-carboxylic acid,1-methyl-4-pyrazolecarboxylic acid,1h-pyrazole-4-carboxylic acid, 1-methyl,4-carboxy-1-methyl-1h-pyrazole,1-methyl-pyrazole-4-carboxylic acid,1-methylpyrazole-4-carboxylicacid,zlchem 1243,pubchem16306,pubchem20860,acmc-209me3 PubChem CID: 643160 ChEBI: CHEBI:74741 IUPAC Name: 1-methylpyrazole-4-carboxylic acid SMILES: CN1C=C(C=N1)C(=O)O
| PubChem CID | 643160 |
|---|---|
| CAS | 5952-92-1 |
| Molecular Weight (g/mol) | 126.115 |
| ChEBI | CHEBI:74741 |
| MDL Number | MFCD00159641 |
| SMILES | CN1C=C(C=N1)C(=O)O |
| Synonym | 1-methyl-1h-pyrazole-4-carboxylic acid,1-methyl-4-pyrazolecarboxylic acid,1h-pyrazole-4-carboxylic acid, 1-methyl,4-carboxy-1-methyl-1h-pyrazole,1-methyl-pyrazole-4-carboxylic acid,1-methylpyrazole-4-carboxylicacid,zlchem 1243,pubchem16306,pubchem20860,acmc-209me3 |
| IUPAC Name | 1-methylpyrazole-4-carboxylic acid |
| InChI Key | UPPPWUOZCSMDTR-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O2 |
Methyl 1,2,3,4-Tetra-O-acetyl-beta-D-glucuronate 96.0+%, TCI America™
CAS: 7355-18-2 Molecular Formula: C15H20O11 Molecular Weight (g/mol): 376.314 MDL Number: MFCD00069834 InChI Key: DPOQCELSZBSZGX-XOBFJNJYSA-N Synonym: 2s,3r,4s,5s,6s-6-methoxycarbonyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,methyl o-tetraacetyl-beta-d-glucopyranuronate,methyl 1,2,3,4-tetra-o-acetyl-beta-d-glucuronate,methyl 1,2,3,4-tetra-o-acetyl-beta-d-glucopyranuronate,methyl 2s,3s,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxane-2-carboxylate,1,2,3,4-tetra-o-acetyl-beta-d-glucopyranuronic acid methyl ester,methyl 1,2,3,4-tetra-o-acetyl-,a-d-glucopyranuronate,beta-d-glucopyranuronic acid, methyl ester, tetraacetate,methyl 1,2,3,4-tetra-o-acetyl-d-glucuronate,1,2,3,4-tetra-o-acetyl-d-glucuronide methyl ester PubChem CID: 95087 IUPAC Name: methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate SMILES: CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C
| PubChem CID | 95087 |
|---|---|
| CAS | 7355-18-2 |
| Molecular Weight (g/mol) | 376.314 |
| MDL Number | MFCD00069834 |
| SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C |
| Synonym | 2s,3r,4s,5s,6s-6-methoxycarbonyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,methyl o-tetraacetyl-beta-d-glucopyranuronate,methyl 1,2,3,4-tetra-o-acetyl-beta-d-glucuronate,methyl 1,2,3,4-tetra-o-acetyl-beta-d-glucopyranuronate,methyl 2s,3s,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxane-2-carboxylate,1,2,3,4-tetra-o-acetyl-beta-d-glucopyranuronic acid methyl ester,methyl 1,2,3,4-tetra-o-acetyl-,a-d-glucopyranuronate,beta-d-glucopyranuronic acid, methyl ester, tetraacetate,methyl 1,2,3,4-tetra-o-acetyl-d-glucuronate,1,2,3,4-tetra-o-acetyl-d-glucuronide methyl ester |
| IUPAC Name | methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate |
| InChI Key | DPOQCELSZBSZGX-XOBFJNJYSA-N |
| Molecular Formula | C15H20O11 |
Ethyl DL-2-Methylbutyrate 98.0+%, TCI America™
CAS: 7452-79-1 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00012217 InChI Key: HCRBXQFHJMCTLF-UHFFFAOYSA-N Synonym: ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci PubChem CID: 24020 IUPAC Name: ethyl 2-methylbutanoate SMILES: CCC(C)C(=O)OCC
| PubChem CID | 24020 |
|---|---|
| CAS | 7452-79-1 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00012217 |
| SMILES | CCC(C)C(=O)OCC |
| Synonym | ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci |
| IUPAC Name | ethyl 2-methylbutanoate |
| InChI Key | HCRBXQFHJMCTLF-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Benzyl Carbazate 98.0+%, TCI America™
CAS: 5331-43-1 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00041890 InChI Key: RXUBZLMIGSAPEJ-UHFFFAOYSA-N Synonym: benzyl carbazate,benzyl hydrazinecarboxylate,hydrazinecarboxylic acid, phenylmethyl ester,carbobenzoxyhydrazide,carbazic acid, benzyl ester,benzyloxycarbonyl hydrazide,benzylcarbazate,benzyloxy carbonyl hydrazine,n-cbz-hydrazine,unii-h7gm2h55tc PubChem CID: 79242 IUPAC Name: benzyl N-aminocarbamate SMILES: C1=CC=C(C=C1)COC(=O)NN
| PubChem CID | 79242 |
|---|---|
| CAS | 5331-43-1 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00041890 |
| SMILES | C1=CC=C(C=C1)COC(=O)NN |
| Synonym | benzyl carbazate,benzyl hydrazinecarboxylate,hydrazinecarboxylic acid, phenylmethyl ester,carbobenzoxyhydrazide,carbazic acid, benzyl ester,benzyloxycarbonyl hydrazide,benzylcarbazate,benzyloxy carbonyl hydrazine,n-cbz-hydrazine,unii-h7gm2h55tc |
| IUPAC Name | benzyl N-aminocarbamate |
| InChI Key | RXUBZLMIGSAPEJ-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |
DL-Carnitine Hydrochloride 98.0+%, TCI America™
CAS: 461-05-2 Molecular Formula: C7H17ClNO3+ Molecular Weight (g/mol): 198.667 MDL Number: MFCD00011904 InChI Key: JXXCENBLGFBQJM-UHFFFAOYSA-O Synonym: dl-carnitine hydrochloride,3-carboxy-2-hydroxypropyl-trimethylammonium hydrochloride,2,4-bis oxidanyl-4-oxidanylidene-butyl-trimethyl-azanium hydrochloride PubChem CID: 24206429 IUPAC Name: (3-carboxy-2-hydroxypropyl)-trimethylazanium;hydrochloride SMILES: C[N+](C)(C)CC(CC(=O)O)O.Cl
| PubChem CID | 24206429 |
|---|---|
| CAS | 461-05-2 |
| Molecular Weight (g/mol) | 198.667 |
| MDL Number | MFCD00011904 |
| SMILES | C[N+](C)(C)CC(CC(=O)O)O.Cl |
| Synonym | dl-carnitine hydrochloride,3-carboxy-2-hydroxypropyl-trimethylammonium hydrochloride,2,4-bis oxidanyl-4-oxidanylidene-butyl-trimethyl-azanium hydrochloride |
| IUPAC Name | (3-carboxy-2-hydroxypropyl)-trimethylazanium;hydrochloride |
| InChI Key | JXXCENBLGFBQJM-UHFFFAOYSA-O |
| Molecular Formula | C7H17ClNO3+ |
1,2,4-Triazole-3-carboxamide 97.0+%, TCI America™
CAS: 8-5-3641 Molecular Formula: C3H4N4O Molecular Weight (g/mol): 112.09 MDL Number: MFCD03990481 InChI Key: ZEWJFUNFEABPGL-UHFFFAOYSA-N PubChem CID: 65125 IUPAC Name: 1H-1,2,4-triazole-5-carboxamide SMILES: C1=NNC(=N1)C(=O)N
| PubChem CID | 65125 |
|---|---|
| CAS | 8-5-3641 |
| Molecular Weight (g/mol) | 112.09 |
| MDL Number | MFCD03990481 |
| SMILES | C1=NNC(=N1)C(=O)N |
| IUPAC Name | 1H-1,2,4-triazole-5-carboxamide |
| InChI Key | ZEWJFUNFEABPGL-UHFFFAOYSA-N |
| Molecular Formula | C3H4N4O |
5-Chlorooxindole 97.0+%, TCI America™
CAS: 17630-75-0 Molecular Formula: C8H6ClNO Molecular Weight (g/mol): 167.59 MDL Number: MFCD00191927 InChI Key: WWJLCYHYLZZXBE-UHFFFAOYSA-N Synonym: 5-chlorooxindole,5-chloroindolin-2-one,5-chloro-1,3-dihydro-2h-indol-2-one,5-chloro-2-indolinone,5-chloro-1,3-dihydro-indol-2-one,5-chloro-2-oxindole,2h-indol-2-one, 5-chloro-1,3-dihydro,5-chloro-2,3-dihydro-1h-indol-2-one,2-indolinone, 5-chloro,5-chlorooxindol PubChem CID: 152801 IUPAC Name: 5-chloro-2,3-dihydro-1H-indol-2-one SMILES: ClC1=CC=C2NC(=O)CC2=C1
| PubChem CID | 152801 |
|---|---|
| CAS | 17630-75-0 |
| Molecular Weight (g/mol) | 167.59 |
| MDL Number | MFCD00191927 |
| SMILES | ClC1=CC=C2NC(=O)CC2=C1 |
| Synonym | 5-chlorooxindole,5-chloroindolin-2-one,5-chloro-1,3-dihydro-2h-indol-2-one,5-chloro-2-indolinone,5-chloro-1,3-dihydro-indol-2-one,5-chloro-2-oxindole,2h-indol-2-one, 5-chloro-1,3-dihydro,5-chloro-2,3-dihydro-1h-indol-2-one,2-indolinone, 5-chloro,5-chlorooxindol |
| IUPAC Name | 5-chloro-2,3-dihydro-1H-indol-2-one |
| InChI Key | WWJLCYHYLZZXBE-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO |
Benzohydroxamic Acid 98.0+%, TCI America™
CAS: 495-18-1 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00002109 InChI Key: VDEUYMSGMPQMIK-UHFFFAOYSA-N Synonym: benzohydroxamic acid,benzhydroxamic acid,benzamide, n-hydroxy,benzohydroxamate,phenylhydroxamic acid,benzohyroxamate,hydroxylamine, n-benzoyl,benzoylhydroxamic acid,n-hydroxy-benzamide,benzenecarbohydroxamic acid PubChem CID: 10313 IUPAC Name: N-hydroxybenzamide SMILES: C1=CC=C(C=C1)C(=O)NO
| PubChem CID | 10313 |
|---|---|
| CAS | 495-18-1 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD00002109 |
| SMILES | C1=CC=C(C=C1)C(=O)NO |
| Synonym | benzohydroxamic acid,benzhydroxamic acid,benzamide, n-hydroxy,benzohydroxamate,phenylhydroxamic acid,benzohyroxamate,hydroxylamine, n-benzoyl,benzoylhydroxamic acid,n-hydroxy-benzamide,benzenecarbohydroxamic acid |
| IUPAC Name | N-hydroxybenzamide |
| InChI Key | VDEUYMSGMPQMIK-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Butyl 2-Methylvalerate 98.0+%, TCI America™
CAS: 6297-41-2 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 InChI Key: FMVUGLMJUHFPSJ-UHFFFAOYSA-N Synonym: 2-Methylvaleric Acid Butyl Ester, Butyl 2-Methylpentanoate, 2-Methylpentanoic Acid Butyl Ester PubChem CID: 95539 IUPAC Name: butyl 2-methylpentanoate SMILES: CCCCOC(=O)C(C)CCC
| PubChem CID | 95539 |
|---|---|
| CAS | 6297-41-2 |
| Molecular Weight (g/mol) | 172.268 |
| SMILES | CCCCOC(=O)C(C)CCC |
| Synonym | 2-Methylvaleric Acid Butyl Ester, Butyl 2-Methylpentanoate, 2-Methylpentanoic Acid Butyl Ester |
| IUPAC Name | butyl 2-methylpentanoate |
| InChI Key | FMVUGLMJUHFPSJ-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
2-Ethylhexyl Thioglycolate 98.0+%, TCI America™
CAS: 7659-86-1 Molecular Formula: C10H20O2S Molecular Weight (g/mol): 204.33 MDL Number: MFCD00022081 InChI Key: OWHSTLLOZWTNTQ-UHFFFAOYNA-N Synonym: Thioglycolic Acid 2-Ethylhexyl Ester, Mercaptoacetic Acid 2-Ethylhexyl Ester, Octyl Thioglycolate, Thioglycolic Acid Octyl Ester, 2-Ethylhexyl Mercaptoacetate PubChem CID: 24309 IUPAC Name: 2-ethylhexyl 2-sulfanylacetate SMILES: CCCCC(CC)COC(=O)CS
| PubChem CID | 24309 |
|---|---|
| CAS | 7659-86-1 |
| Molecular Weight (g/mol) | 204.33 |
| MDL Number | MFCD00022081 |
| SMILES | CCCCC(CC)COC(=O)CS |
| Synonym | Thioglycolic Acid 2-Ethylhexyl Ester, Mercaptoacetic Acid 2-Ethylhexyl Ester, Octyl Thioglycolate, Thioglycolic Acid Octyl Ester, 2-Ethylhexyl Mercaptoacetate |
| IUPAC Name | 2-ethylhexyl 2-sulfanylacetate |
| InChI Key | OWHSTLLOZWTNTQ-UHFFFAOYNA-N |
| Molecular Formula | C10H20O2S |