Carboxylic acids and derivatives
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1,2,3,4,6-Penta-O-pivaloyl-D-mannopyranose 98.0+%, TCI America™
CAS: 220017-47-0 Molecular Formula: C31H52O11 Molecular Weight (g/mol): 600.746 InChI Key: PLXCBOJERHYNCS-AUGMSIGLSA-N PubChem CID: 11039291 IUPAC Name: [(2R,3R,4S,5S)-3,4,5,6-tetrakis(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate SMILES: CC(C)(C)C(=O)OCC1C(C(C(C(O1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
| PubChem CID | 11039291 |
|---|---|
| CAS | 220017-47-0 |
| Molecular Weight (g/mol) | 600.746 |
| SMILES | CC(C)(C)C(=O)OCC1C(C(C(C(O1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C |
| IUPAC Name | [(2R,3R,4S,5S)-3,4,5,6-tetrakis(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate |
| InChI Key | PLXCBOJERHYNCS-AUGMSIGLSA-N |
| Molecular Formula | C31H52O11 |
3-(3-Nitrophenyl)propionic Acid 98.0+%, TCI America™
CAS: 1664-57-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD01310835 InChI Key: ZOANOABZUNJOJT-UHFFFAOYSA-N Synonym: 3-Nitrohydrocinnamic Acid PubChem CID: 2760224 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CCC(=O)O
| PubChem CID | 2760224 |
|---|---|
| CAS | 1664-57-9 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD01310835 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CCC(=O)O |
| Synonym | 3-Nitrohydrocinnamic Acid |
| InChI Key | ZOANOABZUNJOJT-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
Dimethyl Oxalate 99.0+%, TCI America™
CAS: 553-90-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00008442 InChI Key: LOMVENUNSWAXEN-UHFFFAOYSA-N Synonym: methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid PubChem CID: 11120 ChEBI: CHEBI:6859 IUPAC Name: dimethyl oxalate SMILES: COC(=O)C(=O)OC
| PubChem CID | 11120 |
|---|---|
| CAS | 553-90-2 |
| Molecular Weight (g/mol) | 118.09 |
| ChEBI | CHEBI:6859 |
| MDL Number | MFCD00008442 |
| SMILES | COC(=O)C(=O)OC |
| Synonym | methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid |
| IUPAC Name | dimethyl oxalate |
| InChI Key | LOMVENUNSWAXEN-UHFFFAOYSA-N |
| Molecular Formula | C4H6O4 |
Diethyl 2,2'-Thiodiglycolate 97.0+%, TCI America™
CAS: 925-47-3 Molecular Formula: C8H14O4S Molecular Weight (g/mol): 206.256 MDL Number: MFCD00087932 InChI Key: TVCSSJHLVLMADJ-UHFFFAOYSA-N Synonym: 2,2′C-Thiodiglycolic Acid Diethyl Ester, Diethyl 2,2′C-Thiodiacetate, 2,2′C-Thiodiacetic Acid Diethyl Ester PubChem CID: 70216 IUPAC Name: ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylacetate SMILES: CCOC(=O)CSCC(=O)OCC
| PubChem CID | 70216 |
|---|---|
| CAS | 925-47-3 |
| Molecular Weight (g/mol) | 206.256 |
| MDL Number | MFCD00087932 |
| SMILES | CCOC(=O)CSCC(=O)OCC |
| Synonym | 2,2′C-Thiodiglycolic Acid Diethyl Ester, Diethyl 2,2′C-Thiodiacetate, 2,2′C-Thiodiacetic Acid Diethyl Ester |
| IUPAC Name | ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylacetate |
| InChI Key | TVCSSJHLVLMADJ-UHFFFAOYSA-N |
| Molecular Formula | C8H14O4S |
Methylxylenol Blue 85.0+%, TCI America™
CAS: 29412-85-9 Molecular Formula: C25H29N2NaO13S Molecular Weight (g/mol): 620.558 MDL Number: MFCD00065250 InChI Key: VYPGOJHOWVUMIQ-UHFFFAOYSA-M PubChem CID: 131674796 IUPAC Name: sodium;2-[[5-[3-[[bis(carboxymethyl)amino]methyl]-2,2-dioxo-1,2$l^{6}-benzoxathiol-3-yl]-2-hydroxy-3,6-dimethylphenyl]methyl-(carboxymethyl)amino]acetate;hydrate SMILES: CC1=C(C(=C(C(=C1)C2(C3=CC=CC=C3OS2(=O)=O)CN(CC(=O)O)CC(=O)O)C)CN(CC(=O)O)CC(=O)[O-])O.O.[Na+]
| PubChem CID | 131674796 |
|---|---|
| CAS | 29412-85-9 |
| Molecular Weight (g/mol) | 620.558 |
| MDL Number | MFCD00065250 |
| SMILES | CC1=C(C(=C(C(=C1)C2(C3=CC=CC=C3OS2(=O)=O)CN(CC(=O)O)CC(=O)O)C)CN(CC(=O)O)CC(=O)[O-])O.O.[Na+] |
| IUPAC Name | sodium;2-[[5-[3-[[bis(carboxymethyl)amino]methyl]-2,2-dioxo-1,2$l^{6}-benzoxathiol-3-yl]-2-hydroxy-3,6-dimethylphenyl]methyl-(carboxymethyl)amino]acetate;hydrate |
| InChI Key | VYPGOJHOWVUMIQ-UHFFFAOYSA-M |
| Molecular Formula | C25H29N2NaO13S |
3-Acetamidopyridine 98.0+%, TCI America™
CAS: 5867-45-8 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 InChI Key: JVYIBLHBCPSTKF-UHFFFAOYSA-N PubChem CID: 79978 IUPAC Name: N-pyridin-3-ylacetamide SMILES: CC(=O)NC1=CN=CC=C1
| PubChem CID | 79978 |
|---|---|
| CAS | 5867-45-8 |
| Molecular Weight (g/mol) | 136.154 |
| SMILES | CC(=O)NC1=CN=CC=C1 |
| IUPAC Name | N-pyridin-3-ylacetamide |
| InChI Key | JVYIBLHBCPSTKF-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O |
N-(5-Bromopentyl)phthalimide 98.0+%, TCI America™
CAS: 954-81-4 Molecular Formula: C13H14BrNO2 Molecular Weight (g/mol): 296.164 MDL Number: MFCD00060522 InChI Key: QKVHAKICMNABGB-UHFFFAOYSA-N Synonym: n-5-bromopentyl phthalimide,2-5-bromopentyl isoindole-1,3-dione,n-5-bromopentyl-phthalimide,2-5-bromopentyl isoindoline-1,3-dione,2-5-bromo-pentyl-isoindole-1,3-dione,2-5-bromopentyl-1h-isoindole-1,3 2h-dione,2-5-bromopentyl-2,3-dihydro-1h-isoindole-1,3-dione,5-phthalimidopentyl bromide,1-bromo-5-phthalimidopentane PubChem CID: 136770 IUPAC Name: 2-(5-bromopentyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCBr
| PubChem CID | 136770 |
|---|---|
| CAS | 954-81-4 |
| Molecular Weight (g/mol) | 296.164 |
| MDL Number | MFCD00060522 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCBr |
| Synonym | n-5-bromopentyl phthalimide,2-5-bromopentyl isoindole-1,3-dione,n-5-bromopentyl-phthalimide,2-5-bromopentyl isoindoline-1,3-dione,2-5-bromo-pentyl-isoindole-1,3-dione,2-5-bromopentyl-1h-isoindole-1,3 2h-dione,2-5-bromopentyl-2,3-dihydro-1h-isoindole-1,3-dione,5-phthalimidopentyl bromide,1-bromo-5-phthalimidopentane |
| IUPAC Name | 2-(5-bromopentyl)isoindole-1,3-dione |
| InChI Key | QKVHAKICMNABGB-UHFFFAOYSA-N |
| Molecular Formula | C13H14BrNO2 |
Isobutyl Tiglate (stabilized with HQ) 96.0+%, TCI America™
CAS: 61692-84-0 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.23 MDL Number: MFCD00016629 InChI Key: XDEGQMQKHFPBEW-VMPITWQZSA-N Synonym: Tiglic Acid Isobutyl Ester PubChem CID: 5367806 IUPAC Name: 2-methylpropyl (2E)-2-methylbut-2-enoate SMILES: C\C=C(/C)C(=O)OCC(C)C
| PubChem CID | 5367806 |
|---|---|
| CAS | 61692-84-0 |
| Molecular Weight (g/mol) | 156.23 |
| MDL Number | MFCD00016629 |
| SMILES | C\C=C(/C)C(=O)OCC(C)C |
| Synonym | Tiglic Acid Isobutyl Ester |
| IUPAC Name | 2-methylpropyl (2E)-2-methylbut-2-enoate |
| InChI Key | XDEGQMQKHFPBEW-VMPITWQZSA-N |
| Molecular Formula | C9H16O2 |
Cyclopentanecarboxylic Acid 98.0+%, TCI America™
CAS: 3400-45-1 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00001371 InChI Key: JBDSSBMEKXHSJF-UHFFFAOYSA-N Synonym: cyclopentane carboxylic acid,cyclopentylcarboxylic acid,cyclopentancarboxylic acid,cyclopentanoic acid,unii-z6691vh94a,cyclopentylmethanoic acid,pubchem14153,carboxycyclopentane,cyclopentyl carboxylic acid,acmc-209i4g PubChem CID: 18840 IUPAC Name: cyclopentanecarboxylic acid SMILES: C1CCC(C1)C(=O)O
| PubChem CID | 18840 |
|---|---|
| CAS | 3400-45-1 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00001371 |
| SMILES | C1CCC(C1)C(=O)O |
| Synonym | cyclopentane carboxylic acid,cyclopentylcarboxylic acid,cyclopentancarboxylic acid,cyclopentanoic acid,unii-z6691vh94a,cyclopentylmethanoic acid,pubchem14153,carboxycyclopentane,cyclopentyl carboxylic acid,acmc-209i4g |
| IUPAC Name | cyclopentanecarboxylic acid |
| InChI Key | JBDSSBMEKXHSJF-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
Terephthalamic Acid 95.0+%, TCI America™
CAS: 6051-43-0 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD02258929 InChI Key: JMHSCWJIDIKGNZ-UHFFFAOYSA-N Synonym: Terephthalamidic Acid PubChem CID: 506057 ChEBI: CHEBI:50738 IUPAC Name: 4-carbamoylbenzoic acid SMILES: NC(=O)C1=CC=C(C=C1)C(O)=O
| PubChem CID | 506057 |
|---|---|
| CAS | 6051-43-0 |
| Molecular Weight (g/mol) | 165.15 |
| ChEBI | CHEBI:50738 |
| MDL Number | MFCD02258929 |
| SMILES | NC(=O)C1=CC=C(C=C1)C(O)=O |
| Synonym | Terephthalamidic Acid |
| IUPAC Name | 4-carbamoylbenzoic acid |
| InChI Key | JMHSCWJIDIKGNZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
omega-Octalactam 98.0+%, TCI America™
CAS: 935-30-8 Molecular Formula: C8H15NO Molecular Weight (g/mol): 141.214 MDL Number: MFCD00003273 InChI Key: YDLSUFFXJYEVHW-UHFFFAOYSA-N Synonym: 2-azacyclononanone,caprylolactam,capryllactam,azacyclononan-2-one,8-octanelactam,8-aminooctanoic acid lactam,2-perhydroazoninone,2h-azonin-2-one, octahydro,cyclooctanone lactam,octamethylenimine, 2-oxo PubChem CID: 13632 IUPAC Name: azonan-2-one SMILES: C1CCCC(=O)NCCC1
| PubChem CID | 13632 |
|---|---|
| CAS | 935-30-8 |
| Molecular Weight (g/mol) | 141.214 |
| MDL Number | MFCD00003273 |
| SMILES | C1CCCC(=O)NCCC1 |
| Synonym | 2-azacyclononanone,caprylolactam,capryllactam,azacyclononan-2-one,8-octanelactam,8-aminooctanoic acid lactam,2-perhydroazoninone,2h-azonin-2-one, octahydro,cyclooctanone lactam,octamethylenimine, 2-oxo |
| IUPAC Name | azonan-2-one |
| InChI Key | YDLSUFFXJYEVHW-UHFFFAOYSA-N |
| Molecular Formula | C8H15NO |
Methyl Methanesulfonylacetate 98.0+%, TCI America™
CAS: 62020-09-1 Molecular Formula: C4H8O4S Molecular Weight (g/mol): 152.16 MDL Number: MFCD00051842 InChI Key: RQKDASVRZONLNQ-UHFFFAOYSA-N Synonym: methyl methanesulfonylacetate,methyl 2-methanesulfonylacetate,methyl 2-methylsulfonyl acetate,methyl methylsulfonylacetate,methanesulfonylacetic acid methyl ester,acmc-1b4fd,methyl methylsulfonyl acetate,2-methylsulfonyl-1-methoxyethanone,methylsulfonylacetic acid methyl ester,methanesulfonyl acetic acid methyl ester PubChem CID: 2759918 IUPAC Name: methyl 2-methanesulfonylacetate SMILES: COC(=O)CS(C)(=O)=O
| PubChem CID | 2759918 |
|---|---|
| CAS | 62020-09-1 |
| Molecular Weight (g/mol) | 152.16 |
| MDL Number | MFCD00051842 |
| SMILES | COC(=O)CS(C)(=O)=O |
| Synonym | methyl methanesulfonylacetate,methyl 2-methanesulfonylacetate,methyl 2-methylsulfonyl acetate,methyl methylsulfonylacetate,methanesulfonylacetic acid methyl ester,acmc-1b4fd,methyl methylsulfonyl acetate,2-methylsulfonyl-1-methoxyethanone,methylsulfonylacetic acid methyl ester,methanesulfonyl acetic acid methyl ester |
| IUPAC Name | methyl 2-methanesulfonylacetate |
| InChI Key | RQKDASVRZONLNQ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O4S |
1-(Carbamoylmethyl)cyclohexaneacetic Acid 98.0+%, TCI America™
CAS: 99189-60-3 Molecular Formula: C10H17NO3 Molecular Weight (g/mol): 199.25 MDL Number: MFCD02181086 InChI Key: QJGSJXLCJRXTRY-UHFFFAOYSA-N Synonym: 1,1-cyclohexanediacetic acid monoamide,1,1-cyclohexanediacetic acid mono amide,2-1-2-amino-2-oxoethyl cyclohexyl acetic acid,1-carbamoylmethyl cyclohexaneacetic acid,3,3-pentamethyleneglutaramic acid,1-2-amino-2-oxoethyl cyclohexyl acetic acid,1-2-amino-2-oxoethyl cyclohexaneacetic acid,cyclohexaneacetic acid, 1-2-amino-2-oxoethyl,1-carbamoylmethyl-cyclohexyl-acetic acid PubChem CID: 665664 IUPAC Name: 2-[1-(2-amino-2-oxoethyl)cyclohexyl]acetic acid SMILES: C1CCC(CC1)(CC(=O)N)CC(=O)O
| PubChem CID | 665664 |
|---|---|
| CAS | 99189-60-3 |
| Molecular Weight (g/mol) | 199.25 |
| MDL Number | MFCD02181086 |
| SMILES | C1CCC(CC1)(CC(=O)N)CC(=O)O |
| Synonym | 1,1-cyclohexanediacetic acid monoamide,1,1-cyclohexanediacetic acid mono amide,2-1-2-amino-2-oxoethyl cyclohexyl acetic acid,1-carbamoylmethyl cyclohexaneacetic acid,3,3-pentamethyleneglutaramic acid,1-2-amino-2-oxoethyl cyclohexyl acetic acid,1-2-amino-2-oxoethyl cyclohexaneacetic acid,cyclohexaneacetic acid, 1-2-amino-2-oxoethyl,1-carbamoylmethyl-cyclohexyl-acetic acid |
| IUPAC Name | 2-[1-(2-amino-2-oxoethyl)cyclohexyl]acetic acid |
| InChI Key | QJGSJXLCJRXTRY-UHFFFAOYSA-N |
| Molecular Formula | C10H17NO3 |
4'-Bromo-3'-methylacetanilide 98.0+%, TCI America™
CAS: 90914-81-1 Molecular Formula: C9H10BrNO Molecular Weight (g/mol): 228.089 MDL Number: MFCD00040822 InChI Key: BYZHUFNLXFFINU-UHFFFAOYSA-N Synonym: n-4-bromo-3-methylphenyl acetamide,4'-bromo-3'-methylacetanilide,4-bromo-3-methylacetanilide,n-acetyl-4-bromo-m-toluidine,3-methyl-4-bromoacetanilide,n-acetyl 4-bromo-3-methylaniline,n-4-bromo-3-methylphenyl-acetamide,maybridge1_005107,acmc-209r7e PubChem CID: 738336 IUPAC Name: N-(4-bromo-3-methylphenyl)acetamide SMILES: CC1=C(C=CC(=C1)NC(=O)C)Br
| PubChem CID | 738336 |
|---|---|
| CAS | 90914-81-1 |
| Molecular Weight (g/mol) | 228.089 |
| MDL Number | MFCD00040822 |
| SMILES | CC1=C(C=CC(=C1)NC(=O)C)Br |
| Synonym | n-4-bromo-3-methylphenyl acetamide,4'-bromo-3'-methylacetanilide,4-bromo-3-methylacetanilide,n-acetyl-4-bromo-m-toluidine,3-methyl-4-bromoacetanilide,n-acetyl 4-bromo-3-methylaniline,n-4-bromo-3-methylphenyl-acetamide,maybridge1_005107,acmc-209r7e |
| IUPAC Name | N-(4-bromo-3-methylphenyl)acetamide |
| InChI Key | BYZHUFNLXFFINU-UHFFFAOYSA-N |
| Molecular Formula | C9H10BrNO |
2-Bromoisobutyramide 98.0+%, TCI America™
CAS: 7462-74-0 Molecular Formula: C4H8BrNO Molecular Weight (g/mol): 166.018 MDL Number: MFCD08234837 InChI Key: WTRIMJTZOOLIFZ-UHFFFAOYSA-N Synonym: 2-Bromo-2-methylpropionamide PubChem CID: 101235 IUPAC Name: 2-bromo-2-methylpropanamide SMILES: CC(C)(C(=O)N)Br
| PubChem CID | 101235 |
|---|---|
| CAS | 7462-74-0 |
| Molecular Weight (g/mol) | 166.018 |
| MDL Number | MFCD08234837 |
| SMILES | CC(C)(C(=O)N)Br |
| Synonym | 2-Bromo-2-methylpropionamide |
| IUPAC Name | 2-bromo-2-methylpropanamide |
| InChI Key | WTRIMJTZOOLIFZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8BrNO |