Carboxylic acids and derivatives
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4-Ethylcyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 91328-77-7 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.23 MDL Number: MFCD01076323,MFCD01568857 InChI Key: UNROFSAOTBVBBT-UHFFFAOYSA-N Synonym: trans-4-ethylcyclohexanecarboxylic acid,4-ethylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-ethyl,4-trans-ethyl cyclohexane carboxylic acid,cyclohexanecarboxylic acid, 4-ethyl-, trans,1s,4r-4-ethylcyclohexane-1-carboxylic acid,pubchem2491,acmc-209o2z,ksc352s1t,ksc352s2b PubChem CID: 1490288 IUPAC Name: 4-ethylcyclohexane-1-carboxylic acid SMILES: CCC1CCC(CC1)C(O)=O
| PubChem CID | 1490288 |
|---|---|
| CAS | 91328-77-7 |
| Molecular Weight (g/mol) | 156.23 |
| MDL Number | MFCD01076323,MFCD01568857 |
| SMILES | CCC1CCC(CC1)C(O)=O |
| Synonym | trans-4-ethylcyclohexanecarboxylic acid,4-ethylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-ethyl,4-trans-ethyl cyclohexane carboxylic acid,cyclohexanecarboxylic acid, 4-ethyl-, trans,1s,4r-4-ethylcyclohexane-1-carboxylic acid,pubchem2491,acmc-209o2z,ksc352s1t,ksc352s2b |
| IUPAC Name | 4-ethylcyclohexane-1-carboxylic acid |
| InChI Key | UNROFSAOTBVBBT-UHFFFAOYSA-N |
| Molecular Formula | C9H16O2 |
1,2,3,4,6-Penta-O-acetyl-D-mannopyranose 97.0+%, TCI America™
CAS: 25941-03-1 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.341 MDL Number: MFCD05864874 InChI Key: LPTITAGPBXDDGR-WHWZVRATSA-N Synonym: 1,2,3,4,6-penta-o-acetyl-d-mannopyranose,d-mannopyranose pentaacetate,3s,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,2r,3r,4s,5s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,mannopyranose pentaacetate,d-mannopyranose, pentaacetate,1,2,3,4,6-pentaacetate d-mannopyranose,d-mannopyranose,1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-dmannopyranose,1,2,3,4,6-penta-o-acetyl-alpha,beta-d-mannose PubChem CID: 11811209 IUPAC Name: [(2R,3R,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 11811209 |
|---|---|
| CAS | 25941-03-1 |
| Molecular Weight (g/mol) | 390.341 |
| MDL Number | MFCD05864874 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| Synonym | 1,2,3,4,6-penta-o-acetyl-d-mannopyranose,d-mannopyranose pentaacetate,3s,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,2r,3r,4s,5s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,mannopyranose pentaacetate,d-mannopyranose, pentaacetate,1,2,3,4,6-pentaacetate d-mannopyranose,d-mannopyranose,1,2,3,4,6-pentaacetate,1,2,3,4,6-penta-o-acetyl-dmannopyranose,1,2,3,4,6-penta-o-acetyl-alpha,beta-d-mannose |
| IUPAC Name | [(2R,3R,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
| InChI Key | LPTITAGPBXDDGR-WHWZVRATSA-N |
| Molecular Formula | C16H22O11 |
Ethyl 2-Methyl-4-pentenoate 98.0+%, TCI America™
CAS: 53399-81-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00010235 InChI Key: BDBGKYIBDXAVMX-UHFFFAOYNA-N Synonym: ethyl 2-methyl-4-pentenoate,2-methyl-4-pentenoic acid ethyl ester,ethyl 2-methyl 4-pentenoate,4-pentenoic acid, 2-methyl-, ethyl ester,ethyl 2-methylpent-4-en-1-oate,ethyl 2-methyl-4-pentanoate,fema no. 3489,pineapple pentenoate,acmc-1ao14,ethyl-2-methyl-4-pentenoate PubChem CID: 62024 IUPAC Name: ethyl 2-methylpent-4-enoate SMILES: CCOC(=O)C(C)CC=C
| PubChem CID | 62024 |
|---|---|
| CAS | 53399-81-8 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00010235 |
| SMILES | CCOC(=O)C(C)CC=C |
| Synonym | ethyl 2-methyl-4-pentenoate,2-methyl-4-pentenoic acid ethyl ester,ethyl 2-methyl 4-pentenoate,4-pentenoic acid, 2-methyl-, ethyl ester,ethyl 2-methylpent-4-en-1-oate,ethyl 2-methyl-4-pentanoate,fema no. 3489,pineapple pentenoate,acmc-1ao14,ethyl-2-methyl-4-pentenoate |
| IUPAC Name | ethyl 2-methylpent-4-enoate |
| InChI Key | BDBGKYIBDXAVMX-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2 |
N,N,O-Triacetylhydroxylamine 99.0+%, TCI America™
CAS: 17720-63-7 Molecular Formula: C6H9NO4 Molecular Weight (g/mol): 159.14 MDL Number: MFCD00060099 InChI Key: NGULNJDDRUSDPR-UHFFFAOYSA-N PubChem CID: 536072 IUPAC Name: N-acetylacetamido acetate SMILES: CC(=O)ON(C(C)=O)C(C)=O
| PubChem CID | 536072 |
|---|---|
| CAS | 17720-63-7 |
| Molecular Weight (g/mol) | 159.14 |
| MDL Number | MFCD00060099 |
| SMILES | CC(=O)ON(C(C)=O)C(C)=O |
| IUPAC Name | N-acetylacetamido acetate |
| InChI Key | NGULNJDDRUSDPR-UHFFFAOYSA-N |
| Molecular Formula | C6H9NO4 |
(+)-Dibenzoyl-D-tartaric Acid 98.0+%, TCI America™
CAS: 17026-42-5 Molecular Formula: C18H14O8 Molecular Weight (g/mol): 358.30 MDL Number: MFCD00063222 InChI Key: YONLFQNRGZXBBF-ZCWZLOQUNA-N Synonym: dibenzoyl-d-tartaric acid,+-dibenzoyl-d-tartaric acid,2s,3s-2,3-bis benzoyloxy succinic acid,d-dibenzoyl tartaric acid,butanedioic acid, 2,3-bis benzoyloxy-, 2s,3s,+-o,o-dibenzoyltartaric acid,2s,3s-+-dibenzoyltartaric acid,+-dibenzoyltartaric acid,+-dibenzoyl tartaric acid PubChem CID: 1550213 IUPAC Name: (2S,3S)-2,3-bis(benzoyloxy)butanedioic acid SMILES: OC(=O)[C@@H](OC(=O)C1=CC=CC=C1)[C@H](OC(=O)C1=CC=CC=C1)C(O)=O
| PubChem CID | 1550213 |
|---|---|
| CAS | 17026-42-5 |
| Molecular Weight (g/mol) | 358.30 |
| MDL Number | MFCD00063222 |
| SMILES | OC(=O)[C@@H](OC(=O)C1=CC=CC=C1)[C@H](OC(=O)C1=CC=CC=C1)C(O)=O |
| Synonym | dibenzoyl-d-tartaric acid,+-dibenzoyl-d-tartaric acid,2s,3s-2,3-bis benzoyloxy succinic acid,d-dibenzoyl tartaric acid,butanedioic acid, 2,3-bis benzoyloxy-, 2s,3s,+-o,o-dibenzoyltartaric acid,2s,3s-+-dibenzoyltartaric acid,+-dibenzoyltartaric acid,+-dibenzoyl tartaric acid |
| IUPAC Name | (2S,3S)-2,3-bis(benzoyloxy)butanedioic acid |
| InChI Key | YONLFQNRGZXBBF-ZCWZLOQUNA-N |
| Molecular Formula | C18H14O8 |
Methyl Sorbate 98.0+%, TCI America™
CAS: 1515-80-6 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00038319,MFCD00038319 InChI Key: KWKVAGQCDSHWFK-DNVGVPOPSA-N Synonym: Sorbic Acid Methyl Ester PubChem CID: 12221265 IUPAC Name: methyl (2E,4Z)-hexa-2,4-dienoate SMILES: COC(=O)\C=C\C=C/C
| PubChem CID | 12221265 |
|---|---|
| CAS | 1515-80-6 |
| Molecular Weight (g/mol) | 126.16 |
| MDL Number | MFCD00038319,MFCD00038319 |
| SMILES | COC(=O)\C=C\C=C/C |
| Synonym | Sorbic Acid Methyl Ester |
| IUPAC Name | methyl (2E,4Z)-hexa-2,4-dienoate |
| InChI Key | KWKVAGQCDSHWFK-DNVGVPOPSA-N |
| Molecular Formula | C7H10O2 |
Isopropyl Hexanoate 98.0+%, TCI America™
CAS: 2311-46-8 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.241 MDL Number: MFCD00059436 InChI Key: JSHDAORXSNJOBA-UHFFFAOYSA-N Synonym: Hexanoic Acid Isopropyl Ester PubChem CID: 16832 IUPAC Name: propan-2-yl hexanoate SMILES: CCCCCC(=O)OC(C)C
| PubChem CID | 16832 |
|---|---|
| CAS | 2311-46-8 |
| Molecular Weight (g/mol) | 158.241 |
| MDL Number | MFCD00059436 |
| SMILES | CCCCCC(=O)OC(C)C |
| Synonym | Hexanoic Acid Isopropyl Ester |
| IUPAC Name | propan-2-yl hexanoate |
| InChI Key | JSHDAORXSNJOBA-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
4-Aminophthalimide 98.0+%, TCI America™
CAS: 3676-85-5 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00041854 InChI Key: PXRKCOCTEMYUEG-UHFFFAOYSA-N Synonym: 4-aminophthalimide,5-aminoisoindoline-1,3-dione,1h-isoindole-1,3 2h-dione, 5-amino,5-amino-1h-isoindole-1,3 2h-dione,5-amino-isoindole-1,3-dione,phthalimide, 4-amino,5-amino-2,3-dihydro-1h-isoindole-1,3-dione,5-amino-2h-isoindole-1,3-dione,5-amino-2h-benzo c azolidine-1,3-dione,5-aminophthalimide PubChem CID: 72915 IUPAC Name: 5-amino-2,3-dihydro-1H-isoindole-1,3-dione SMILES: NC1=CC=C2C(=O)NC(=O)C2=C1
| PubChem CID | 72915 |
|---|---|
| CAS | 3676-85-5 |
| Molecular Weight (g/mol) | 162.15 |
| MDL Number | MFCD00041854 |
| SMILES | NC1=CC=C2C(=O)NC(=O)C2=C1 |
| Synonym | 4-aminophthalimide,5-aminoisoindoline-1,3-dione,1h-isoindole-1,3 2h-dione, 5-amino,5-amino-1h-isoindole-1,3 2h-dione,5-amino-isoindole-1,3-dione,phthalimide, 4-amino,5-amino-2,3-dihydro-1h-isoindole-1,3-dione,5-amino-2h-isoindole-1,3-dione,5-amino-2h-benzo c azolidine-1,3-dione,5-aminophthalimide |
| IUPAC Name | 5-amino-2,3-dihydro-1H-isoindole-1,3-dione |
| InChI Key | PXRKCOCTEMYUEG-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
2-Pyridinecarboxylic Acid Hydrazide 98.0+%, TCI America™
CAS: 1452-63-7 Molecular Formula: C6H7N3O Molecular Weight (g/mol): 137.14 MDL Number: MFCD00059782 InChI Key: BAQLNPIEFOYKNB-UHFFFAOYSA-N Synonym: 2-Picolinyl Hydrazide, Picolinic Acid Hydrazide PubChem CID: 255881 IUPAC Name: pyridine-2-carbohydrazide SMILES: NNC(=O)C1=CC=CC=N1
| PubChem CID | 255881 |
|---|---|
| CAS | 1452-63-7 |
| Molecular Weight (g/mol) | 137.14 |
| MDL Number | MFCD00059782 |
| SMILES | NNC(=O)C1=CC=CC=N1 |
| Synonym | 2-Picolinyl Hydrazide, Picolinic Acid Hydrazide |
| IUPAC Name | pyridine-2-carbohydrazide |
| InChI Key | BAQLNPIEFOYKNB-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O |
Ethyl 4-Nitrocinnamate 98.0+%, TCI America™
CAS: 953-26-4 Molecular Formula: C11H11NO4 Molecular Weight (g/mol): 221.212 MDL Number: MFCD00007380 InChI Key: PFBQVGXIMLXCQB-VMPITWQZSA-N Synonym: ethyl 4-nitrocinnamate,ethyl p-nitrocinnamate,ethyl 3-4-nitrophenyl acrylate,2-propenoic acid, 3-4-nitrophenyl-, ethyl ester,cinnamic acid, p-nitro-, ethyl ester,ethyl-4-nitrocinnamate,e-ethyl 3-4-nitrophenyl acrylate,propenoic acid, 3-4-nitrophenyl-, ethyl ester,4-nitrozimtsaeure-ethylester,ethyl 2e-3-4-nitrophenyl prop-2-enoate PubChem CID: 1268038 IUPAC Name: ethyl (E)-3-(4-nitrophenyl)prop-2-enoate SMILES: CCOC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 1268038 |
|---|---|
| CAS | 953-26-4 |
| Molecular Weight (g/mol) | 221.212 |
| MDL Number | MFCD00007380 |
| SMILES | CCOC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | ethyl 4-nitrocinnamate,ethyl p-nitrocinnamate,ethyl 3-4-nitrophenyl acrylate,2-propenoic acid, 3-4-nitrophenyl-, ethyl ester,cinnamic acid, p-nitro-, ethyl ester,ethyl-4-nitrocinnamate,e-ethyl 3-4-nitrophenyl acrylate,propenoic acid, 3-4-nitrophenyl-, ethyl ester,4-nitrozimtsaeure-ethylester,ethyl 2e-3-4-nitrophenyl prop-2-enoate |
| IUPAC Name | ethyl (E)-3-(4-nitrophenyl)prop-2-enoate |
| InChI Key | PFBQVGXIMLXCQB-VMPITWQZSA-N |
| Molecular Formula | C11H11NO4 |
2,3-Dibromopropionamide 98.0+%, TCI America™
CAS: 15102-42-8 Molecular Formula: C3H5Br2NO Molecular Weight (g/mol): 230.887 MDL Number: MFCD00031484 InChI Key: DZQCMQRQFZXQKN-UHFFFAOYSA-N Synonym: 2,3-dibromopropionamide,propanamide, 2,3-dibromo,acmc-209twc,propionamide,3-dibromo,2,3-dibromo-propionamide,#,propanamide,2,3-dibromo,propionamide, 2,3-dibromo,ksc493i7n,2,3-dibromopropionamide standardforacrylamideglcdetermination PubChem CID: 85798 IUPAC Name: 2,3-dibromopropanamide SMILES: C(C(C(=O)N)Br)Br
| PubChem CID | 85798 |
|---|---|
| CAS | 15102-42-8 |
| Molecular Weight (g/mol) | 230.887 |
| MDL Number | MFCD00031484 |
| SMILES | C(C(C(=O)N)Br)Br |
| Synonym | 2,3-dibromopropionamide,propanamide, 2,3-dibromo,acmc-209twc,propionamide,3-dibromo,2,3-dibromo-propionamide,#,propanamide,2,3-dibromo,propionamide, 2,3-dibromo,ksc493i7n,2,3-dibromopropionamide standardforacrylamideglcdetermination |
| IUPAC Name | 2,3-dibromopropanamide |
| InChI Key | DZQCMQRQFZXQKN-UHFFFAOYSA-N |
| Molecular Formula | C3H5Br2NO |
Methyl 2-Oxovalerate 90.0+%, TCI America™
CAS: 6376-59-6 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 InChI Key: MBNLVYPIKSWXCT-UHFFFAOYSA-N Synonym: 2-Oxovaleric Acid Methyl Ester, Methyl 2-Oxopentanoate, 2-Oxopentanoic Acid Methyl Ester PubChem CID: 642256 IUPAC Name: methyl 2-oxopentanoate SMILES: CCCC(=O)C(=O)OC
| PubChem CID | 642256 |
|---|---|
| CAS | 6376-59-6 |
| Molecular Weight (g/mol) | 130.143 |
| SMILES | CCCC(=O)C(=O)OC |
| Synonym | 2-Oxovaleric Acid Methyl Ester, Methyl 2-Oxopentanoate, 2-Oxopentanoic Acid Methyl Ester |
| IUPAC Name | methyl 2-oxopentanoate |
| InChI Key | MBNLVYPIKSWXCT-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
4-Methyl-3-cyclohexene-1-carboxylic Acid 98.0+%, TCI America™
CAS: 4342-60-3 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.182 InChI Key: OYOQOLNBTPTFEM-UHFFFAOYSA-N PubChem CID: 20350 IUPAC Name: 4-methylcyclohex-3-ene-1-carboxylic acid SMILES: CC1=CCC(CC1)C(=O)O
| PubChem CID | 20350 |
|---|---|
| CAS | 4342-60-3 |
| Molecular Weight (g/mol) | 140.182 |
| SMILES | CC1=CCC(CC1)C(=O)O |
| IUPAC Name | 4-methylcyclohex-3-ene-1-carboxylic acid |
| InChI Key | OYOQOLNBTPTFEM-UHFFFAOYSA-N |
| Molecular Formula | C8H12O2 |
5-Bromooxindole 97.0+%, TCI America™
CAS: 20870-78-4 Molecular Formula: C8H6BrNO Molecular Weight (g/mol): 212.046 MDL Number: MFCD00456998 InChI Key: VIMNAEVMZXIKFL-UHFFFAOYSA-N Synonym: 5-bromooxindole,5-bromoindolin-2-one,5-bromo-2-oxindole,5-bromo-1,3-dihydro-2h-indol-2-one,5-bromo-2,3-dihydro-1h-indol-2-one,5-bromo-2-indolinone,5-bromo-1,3-dihydro-indol-2-one,2h-indol-2-one, 5-bromo-1,3-dihydro,5-bromo-2-oxindol,1,3-dihydro-5-bromoindol-2-one PubChem CID: 611193 IUPAC Name: 5-bromo-1,3-dihydroindol-2-one SMILES: C1C2=C(C=CC(=C2)Br)NC1=O
| PubChem CID | 611193 |
|---|---|
| CAS | 20870-78-4 |
| Molecular Weight (g/mol) | 212.046 |
| MDL Number | MFCD00456998 |
| SMILES | C1C2=C(C=CC(=C2)Br)NC1=O |
| Synonym | 5-bromooxindole,5-bromoindolin-2-one,5-bromo-2-oxindole,5-bromo-1,3-dihydro-2h-indol-2-one,5-bromo-2,3-dihydro-1h-indol-2-one,5-bromo-2-indolinone,5-bromo-1,3-dihydro-indol-2-one,2h-indol-2-one, 5-bromo-1,3-dihydro,5-bromo-2-oxindol,1,3-dihydro-5-bromoindol-2-one |
| IUPAC Name | 5-bromo-1,3-dihydroindol-2-one |
| InChI Key | VIMNAEVMZXIKFL-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO |
2'-Fluoroacetanilide 98.0+%, TCI America™
CAS: 399-31-5 Molecular Formula: C8H8FNO Molecular Weight (g/mol): 153.156 InChI Key: AUZPZBPZWHEIDY-UHFFFAOYSA-N Synonym: 2'-fluoroacetanilide,n-2-fluorophenyl acetamide,acetamide, n-2-fluorophenyl,a-fluoroacetanilide,pubchem3369,maybridge1_008728,n-acetyl-2-fluoroaniline,acmc-1aho3,n-2-fluorophenyl acetamide # PubChem CID: 67860 IUPAC Name: N-(2-fluorophenyl)acetamide SMILES: CC(=O)NC1=CC=CC=C1F
| PubChem CID | 67860 |
|---|---|
| CAS | 399-31-5 |
| Molecular Weight (g/mol) | 153.156 |
| SMILES | CC(=O)NC1=CC=CC=C1F |
| Synonym | 2'-fluoroacetanilide,n-2-fluorophenyl acetamide,acetamide, n-2-fluorophenyl,a-fluoroacetanilide,pubchem3369,maybridge1_008728,n-acetyl-2-fluoroaniline,acmc-1aho3,n-2-fluorophenyl acetamide # |
| IUPAC Name | N-(2-fluorophenyl)acetamide |
| InChI Key | AUZPZBPZWHEIDY-UHFFFAOYSA-N |
| Molecular Formula | C8H8FNO |