Organic acids and derivatives
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L-(-)-Malic Acid 98.0+%, TCI America™
CAS: 97-67-6 Molecular Formula: C4H6O5 Molecular Weight (g/mol): 134.087 MDL Number: MFCD00064213 InChI Key: BJEPYKJPYRNKOW-REOHCLBHSA-N Synonym: l-malic acid,l---malic acid,s-2-hydroxysuccinic acid,2s-2-hydroxybutanedioic acid,l--malic acid,apple acid,--malic acid,l-apple acid,s-malic acid,s-2-hydroxybutanedioic acid PubChem CID: 222656 ChEBI: CHEBI:30797 IUPAC Name: (2S)-2-hydroxybutanedioic acid SMILES: C(C(C(=O)O)O)C(=O)O
| PubChem CID | 222656 |
|---|---|
| CAS | 97-67-6 |
| Molecular Weight (g/mol) | 134.087 |
| ChEBI | CHEBI:30797 |
| MDL Number | MFCD00064213 |
| SMILES | C(C(C(=O)O)O)C(=O)O |
| Synonym | l-malic acid,l---malic acid,s-2-hydroxysuccinic acid,2s-2-hydroxybutanedioic acid,l--malic acid,apple acid,--malic acid,l-apple acid,s-malic acid,s-2-hydroxybutanedioic acid |
| IUPAC Name | (2S)-2-hydroxybutanedioic acid |
| InChI Key | BJEPYKJPYRNKOW-REOHCLBHSA-N |
| Molecular Formula | C4H6O5 |
2-Acetamido-5-iodopyridine 98.0+%, TCI America™
CAS: 66131-78-0 Molecular Formula: C7H7IN2O Molecular Weight (g/mol): 262.05 MDL Number: MFCD01315262 InChI Key: KUSIBMGCSKLUCE-UHFFFAOYSA-N PubChem CID: 1488682 IUPAC Name: N-(5-iodopyridin-2-yl)acetamide SMILES: CC(=O)NC1=NC=C(I)C=C1
| PubChem CID | 1488682 |
|---|---|
| CAS | 66131-78-0 |
| Molecular Weight (g/mol) | 262.05 |
| MDL Number | MFCD01315262 |
| SMILES | CC(=O)NC1=NC=C(I)C=C1 |
| IUPAC Name | N-(5-iodopyridin-2-yl)acetamide |
| InChI Key | KUSIBMGCSKLUCE-UHFFFAOYSA-N |
| Molecular Formula | C7H7IN2O |
2-(3,6-Dihexyloxyxanthen-9-yl)benzamide 97.0+%, TCI America™
CAS: 1820618-83-4 Molecular Formula: C32H39NO4 Molecular Weight (g/mol): 501.667 InChI Key: MTYUAGPQJCRKEE-UHFFFAOYSA-N PubChem CID: 56973697 IUPAC Name: 2-(3,6-dihexoxy-9H-xanthen-9-yl)benzamide SMILES: CCCCCCOC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OCCCCCC)C4=CC=CC=C4C(=O)N
| PubChem CID | 56973697 |
|---|---|
| CAS | 1820618-83-4 |
| Molecular Weight (g/mol) | 501.667 |
| SMILES | CCCCCCOC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OCCCCCC)C4=CC=CC=C4C(=O)N |
| IUPAC Name | 2-(3,6-dihexoxy-9H-xanthen-9-yl)benzamide |
| InChI Key | MTYUAGPQJCRKEE-UHFFFAOYSA-N |
| Molecular Formula | C32H39NO4 |
1,3-Dimethylurea 98.0+%, TCI America™
CAS: 96-31-1 Molecular Formula: C3H8N2O Molecular Weight (g/mol): 88.11 MDL Number: MFCD00008286 InChI Key: MGJKQDOBUOMPEZ-UHFFFAOYSA-N Synonym: n,n'-dimethylurea,sym-dimethylurea,urea, n,n'-dimethyl,dimethylurea,symmetric dimethylurea,urea, 1,3-dimethyl,n,n'-dimethylharnstoff,1,3-dimethyl urea,n,n'-dimethylharnstoff german,unii-wam6dr9i4x PubChem CID: 7293 ChEBI: CHEBI:80472 IUPAC Name: 1,3-dimethylurea SMILES: CNC(=O)NC
| PubChem CID | 7293 |
|---|---|
| CAS | 96-31-1 |
| Molecular Weight (g/mol) | 88.11 |
| ChEBI | CHEBI:80472 |
| MDL Number | MFCD00008286 |
| SMILES | CNC(=O)NC |
| Synonym | n,n'-dimethylurea,sym-dimethylurea,urea, n,n'-dimethyl,dimethylurea,symmetric dimethylurea,urea, 1,3-dimethyl,n,n'-dimethylharnstoff,1,3-dimethyl urea,n,n'-dimethylharnstoff german,unii-wam6dr9i4x |
| IUPAC Name | 1,3-dimethylurea |
| InChI Key | MGJKQDOBUOMPEZ-UHFFFAOYSA-N |
| Molecular Formula | C3H8N2O |
1-Methylpyrazole-5-carboxylic Acid 97.0+%, TCI America™
CAS: 16034-46-1 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00464253 InChI Key: JREJQAWGQCMSIY-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-5-carboxylic acid,1-methylpyrazole-5-carboxylic acid,2-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-methyl,1-methyl-1h-pyrazole-5-carboxylicacid,5-carboxy-1-methyl-1h-pyrazole,1-methyl-5-pyrazolecarboxylic acid,2h-pyrazole-3-carboxylic acid, 2-methyl,acmc-209dkx,ksc173g6t PubChem CID: 643158 ChEBI: CHEBI:74737 IUPAC Name: 1-methyl-1H-pyrazole-5-carboxylic acid SMILES: CN1N=CC=C1C(O)=O
| PubChem CID | 643158 |
|---|---|
| CAS | 16034-46-1 |
| Molecular Weight (g/mol) | 126.12 |
| ChEBI | CHEBI:74737 |
| MDL Number | MFCD00464253 |
| SMILES | CN1N=CC=C1C(O)=O |
| Synonym | 1-methyl-1h-pyrazole-5-carboxylic acid,1-methylpyrazole-5-carboxylic acid,2-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-methyl,1-methyl-1h-pyrazole-5-carboxylicacid,5-carboxy-1-methyl-1h-pyrazole,1-methyl-5-pyrazolecarboxylic acid,2h-pyrazole-3-carboxylic acid, 2-methyl,acmc-209dkx,ksc173g6t |
| IUPAC Name | 1-methyl-1H-pyrazole-5-carboxylic acid |
| InChI Key | JREJQAWGQCMSIY-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O2 |
4-Methoxyphenylphosphonic Acid 95.0+%, TCI America™
CAS: 21778-19-8 Molecular Formula: C7H9O4P Molecular Weight (g/mol): 188.119 MDL Number: MFCD00013948 InChI Key: SCMAYTUWDLAAAO-UHFFFAOYSA-N Synonym: 4-Phosphonylanisole PubChem CID: 2779449 IUPAC Name: (4-methoxyphenyl)phosphonic acid SMILES: COC1=CC=C(C=C1)P(=O)(O)O
| PubChem CID | 2779449 |
|---|---|
| CAS | 21778-19-8 |
| Molecular Weight (g/mol) | 188.119 |
| MDL Number | MFCD00013948 |
| SMILES | COC1=CC=C(C=C1)P(=O)(O)O |
| Synonym | 4-Phosphonylanisole |
| IUPAC Name | (4-methoxyphenyl)phosphonic acid |
| InChI Key | SCMAYTUWDLAAAO-UHFFFAOYSA-N |
| Molecular Formula | C7H9O4P |
2-Propylvaleric Acid 99.0+%, TCI America™
CAS: 99-66-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00002672 InChI Key: NIJJYAXOARWZEE-UHFFFAOYSA-N Synonym: valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl PubChem CID: 3121 ChEBI: CHEBI:39867 IUPAC Name: 2-propylpentanoic acid SMILES: CCCC(CCC)C(O)=O
| PubChem CID | 3121 |
|---|---|
| CAS | 99-66-1 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:39867 |
| MDL Number | MFCD00002672 |
| SMILES | CCCC(CCC)C(O)=O |
| Synonym | valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl |
| IUPAC Name | 2-propylpentanoic acid |
| InChI Key | NIJJYAXOARWZEE-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Dimethyl Citraconate 99.0+%, TCI America™
CAS: 617-54-9 Molecular Formula: C7H10O4 Molecular Weight (g/mol): 158.15 MDL Number: MFCD00059306 InChI Key: WQEXBUQDXKPVHR-SNAWJCMRSA-N Synonym: Citraconic Acid Dimethyl Ester PubChem CID: 5355715 IUPAC Name: 1,4-dimethyl (2E)-2-methylbut-2-enedioate SMILES: COC(=O)\C=C(/C)C(=O)OC
| PubChem CID | 5355715 |
|---|---|
| CAS | 617-54-9 |
| Molecular Weight (g/mol) | 158.15 |
| MDL Number | MFCD00059306 |
| SMILES | COC(=O)\C=C(/C)C(=O)OC |
| Synonym | Citraconic Acid Dimethyl Ester |
| IUPAC Name | 1,4-dimethyl (2E)-2-methylbut-2-enedioate |
| InChI Key | WQEXBUQDXKPVHR-SNAWJCMRSA-N |
| Molecular Formula | C7H10O4 |
Ethyl o-Tolylacetate 97.0+%, TCI America™
CAS: 40291-39-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00009179 InChI Key: HTDQOYWJDUMNHX-UHFFFAOYSA-N Synonym: ethyl o-tolylacetate,ethyl 2-o-tolyl acetate,ethyl 2-2-methylphenyl acetate,2-methylphenylacetic acid ethyl ester,o-tolylacetic acid ethyl ester,ethyl o-methylphenylacetate,ethyl 2-methylphenylacetate,benzeneacetic acid, 2-methyl-, ethyl ester,toluene=ethyl acetate,ethyl 2-o-tolylacetate PubChem CID: 96528 IUPAC Name: ethyl 2-(2-methylphenyl)acetate SMILES: CCOC(=O)CC1=CC=CC=C1C
| PubChem CID | 96528 |
|---|---|
| CAS | 40291-39-2 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00009179 |
| SMILES | CCOC(=O)CC1=CC=CC=C1C |
| Synonym | ethyl o-tolylacetate,ethyl 2-o-tolyl acetate,ethyl 2-2-methylphenyl acetate,2-methylphenylacetic acid ethyl ester,o-tolylacetic acid ethyl ester,ethyl o-methylphenylacetate,ethyl 2-methylphenylacetate,benzeneacetic acid, 2-methyl-, ethyl ester,toluene=ethyl acetate,ethyl 2-o-tolylacetate |
| IUPAC Name | ethyl 2-(2-methylphenyl)acetate |
| InChI Key | HTDQOYWJDUMNHX-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
Ethyl Cyclopropanecarboxylate 98.0+%, TCI America™
CAS: 4606-07-9 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00001282 InChI Key: LDDOSDVZPSGLFZ-UHFFFAOYSA-N Synonym: cyclopropanecarboxylic acid ethyl ester,ethyl cyclopropylcarboxylate,ethyl cyclopropane carboxylate,cyclopropanecarboxylic acid, ethyl ester,pubchem11840,ethyl cylopropylcarboxylate,ethoxycarbonyl cyclopropane,ethylcyclopropane carboxylate,ksc497s5p,lddosdvzpsglfz-uhfffaoysa PubChem CID: 78351 IUPAC Name: ethyl cyclopropanecarboxylate SMILES: CCOC(=O)C1CC1
| PubChem CID | 78351 |
|---|---|
| CAS | 4606-07-9 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00001282 |
| SMILES | CCOC(=O)C1CC1 |
| Synonym | cyclopropanecarboxylic acid ethyl ester,ethyl cyclopropylcarboxylate,ethyl cyclopropane carboxylate,cyclopropanecarboxylic acid, ethyl ester,pubchem11840,ethyl cylopropylcarboxylate,ethoxycarbonyl cyclopropane,ethylcyclopropane carboxylate,ksc497s5p,lddosdvzpsglfz-uhfffaoysa |
| IUPAC Name | ethyl cyclopropanecarboxylate |
| InChI Key | LDDOSDVZPSGLFZ-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
Butyl n-Octanoate 99.0+%, TCI America™
CAS: 589-75-3 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.322 MDL Number: MFCD00048918 InChI Key: PSXNDMJWRZYVTM-UHFFFAOYSA-N Synonym: butyl caprylate,butyl n-octanoate,n-butylcaprylate,octanoic acid, butyl ester,n-butyl octanoate,caprylic acid n-butyl ester,n-caprylic acid n-butyl ester,butyl-caprylate,n-butyl n-octanoate,octanoic acid butyl ester PubChem CID: 11517 ChEBI: CHEBI:87380 IUPAC Name: butyl octanoate SMILES: CCCCCCCC(=O)OCCCC
| PubChem CID | 11517 |
|---|---|
| CAS | 589-75-3 |
| Molecular Weight (g/mol) | 200.322 |
| ChEBI | CHEBI:87380 |
| MDL Number | MFCD00048918 |
| SMILES | CCCCCCCC(=O)OCCCC |
| Synonym | butyl caprylate,butyl n-octanoate,n-butylcaprylate,octanoic acid, butyl ester,n-butyl octanoate,caprylic acid n-butyl ester,n-caprylic acid n-butyl ester,butyl-caprylate,n-butyl n-octanoate,octanoic acid butyl ester |
| IUPAC Name | butyl octanoate |
| InChI Key | PSXNDMJWRZYVTM-UHFFFAOYSA-N |
| Molecular Formula | C12H24O2 |
1-Ethyl-3-methylpyrazole-5-carboxylic Acid 98.0+%, TCI America™
CAS: 50920-65-5 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.169 MDL Number: MFCD00156147 InChI Key: VFMGOJUUTAPPDA-UHFFFAOYSA-N Synonym: 1-ethyl-3-methyl-1h-pyrazole-5-carboxylic acid,1-ethyl-3-methylpyrazole-5-carboxylic acid,2-ethyl-5-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-ethyl-3-methyl,maybridge1_008579,acmc-20aovb,1-ethyl-3-methyl-1h-pyrazole-5-carboxylicacid,1-ethyl-3-methylpyrazole-5-carboxylic,1h-pyrazole-5-carboxylicacid, 1-ethyl-3-methyl PubChem CID: 2743794 IUPAC Name: 2-ethyl-5-methylpyrazole-3-carboxylic acid SMILES: CCN1C(=CC(=N1)C)C(=O)O
| PubChem CID | 2743794 |
|---|---|
| CAS | 50920-65-5 |
| Molecular Weight (g/mol) | 154.169 |
| MDL Number | MFCD00156147 |
| SMILES | CCN1C(=CC(=N1)C)C(=O)O |
| Synonym | 1-ethyl-3-methyl-1h-pyrazole-5-carboxylic acid,1-ethyl-3-methylpyrazole-5-carboxylic acid,2-ethyl-5-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1-ethyl-3-methyl,maybridge1_008579,acmc-20aovb,1-ethyl-3-methyl-1h-pyrazole-5-carboxylicacid,1-ethyl-3-methylpyrazole-5-carboxylic,1h-pyrazole-5-carboxylicacid, 1-ethyl-3-methyl |
| IUPAC Name | 2-ethyl-5-methylpyrazole-3-carboxylic acid |
| InChI Key | VFMGOJUUTAPPDA-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O2 |
2-Thiophenesulfonamide 98.0+%, TCI America™
CAS: 6339-87-3 Molecular Formula: C4H5NO2S2 Molecular Weight (g/mol): 163.209 MDL Number: MFCD00185853 InChI Key: KTFDYVNEGTXQCV-UHFFFAOYSA-N PubChem CID: 72881 ChEBI: CHEBI:79403 IUPAC Name: thiophene-2-sulfonamide SMILES: C1=CSC(=C1)S(=O)(=O)N
| PubChem CID | 72881 |
|---|---|
| CAS | 6339-87-3 |
| Molecular Weight (g/mol) | 163.209 |
| ChEBI | CHEBI:79403 |
| MDL Number | MFCD00185853 |
| SMILES | C1=CSC(=C1)S(=O)(=O)N |
| IUPAC Name | thiophene-2-sulfonamide |
| InChI Key | KTFDYVNEGTXQCV-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO2S2 |
1,1,1,3,3,3-Hexafluoroisopropyl Acrylate (stabilized with TBC) 98.0+%, TCI America™
CAS: 2160-89-6 Molecular Formula: C6H4F6O2 Molecular Weight (g/mol): 222.09 MDL Number: MFCD00040104 InChI Key: MNSWITGNWZSAMC-UHFFFAOYSA-N Synonym: 1,1,1,3,3,3-hexafluoroisopropyl acrylate,hexafluoroisopropyl acrylate,1,1,1,3,3,3-hexafluoropropan-2-yl acrylate,2-propenoic acid, 2,2,2-trifluoro-1-trifluoromethyl ethyl ester,acrylic acid 1,1,1,3,3,3-hexafluoroisopropyl ester,hexafluoro-2-propyl acrylate,mnswitgnwzsamc-uhfffaoysa,1h-1-trifluoromethyl trifluoroethyl acrylate PubChem CID: 75096 IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl prop-2-enoate SMILES: FC(F)(F)C(OC(=O)C=C)C(F)(F)F
| PubChem CID | 75096 |
|---|---|
| CAS | 2160-89-6 |
| Molecular Weight (g/mol) | 222.09 |
| MDL Number | MFCD00040104 |
| SMILES | FC(F)(F)C(OC(=O)C=C)C(F)(F)F |
| Synonym | 1,1,1,3,3,3-hexafluoroisopropyl acrylate,hexafluoroisopropyl acrylate,1,1,1,3,3,3-hexafluoropropan-2-yl acrylate,2-propenoic acid, 2,2,2-trifluoro-1-trifluoromethyl ethyl ester,acrylic acid 1,1,1,3,3,3-hexafluoroisopropyl ester,hexafluoro-2-propyl acrylate,mnswitgnwzsamc-uhfffaoysa,1h-1-trifluoromethyl trifluoroethyl acrylate |
| IUPAC Name | 1,1,1,3,3,3-hexafluoropropan-2-yl prop-2-enoate |
| InChI Key | MNSWITGNWZSAMC-UHFFFAOYSA-N |
| Molecular Formula | C6H4F6O2 |
3-Methoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate 95.0+%, TCI America™
CAS: 217813-03-1 Molecular Formula: C11H15F3O4SSi Molecular Weight (g/mol): 328.38 MDL Number: MFCD10566916 InChI Key: OJVREKSBMMQLBJ-UHFFFAOYSA-N Synonym: 3-Methoxy-2-(trimethylsilyl)phenyl Triflate, Trifluoromethanesulfonic Acid 3-Methoxy-2-(trimethylsilyl)phenyl Ester PubChem CID: 11023933 IUPAC Name: 3-methoxy-2-(trimethylsilyl)phenyl trifluoromethanesulfonate SMILES: COC1=C(C(OS(=O)(=O)C(F)(F)F)=CC=C1)[Si](C)(C)C
| PubChem CID | 11023933 |
|---|---|
| CAS | 217813-03-1 |
| Molecular Weight (g/mol) | 328.38 |
| MDL Number | MFCD10566916 |
| SMILES | COC1=C(C(OS(=O)(=O)C(F)(F)F)=CC=C1)[Si](C)(C)C |
| Synonym | 3-Methoxy-2-(trimethylsilyl)phenyl Triflate, Trifluoromethanesulfonic Acid 3-Methoxy-2-(trimethylsilyl)phenyl Ester |
| IUPAC Name | 3-methoxy-2-(trimethylsilyl)phenyl trifluoromethanesulfonate |
| InChI Key | OJVREKSBMMQLBJ-UHFFFAOYSA-N |
| Molecular Formula | C11H15F3O4SSi |