Carboxylic acids and derivatives
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1,2,3,4,5,6-Hexa-O-[11-[4-(4-hexylphenylazo)phenoxy]undecanoyl]-D-mannitol 97.0+%, TCI America™
CAS: 1093077-77-0 Molecular Formula: C180H254N12O18 Molecular Weight (g/mol): 2874.078 InChI Key: DMCHOYXACRXKRI-RDXCSIDZSA-N PubChem CID: 91972138 SMILES: CCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCCCCCCC(=O)OCC(C(C(C(COC(=O)CCCCCCCCCCOC3=CC=C(C=C3)N=NC4=CC=C(C=C4)CCCCCC)OC(=O)CCCCCCCCCCOC5=CC=C(C=C5)N=NC6=CC=C(C=C6)CCCCCC)OC(=O)CCCCCCCCCCOC7=CC=C(C=C7)N=NC8=CC=C(C=C8)CCCCCC)OC(=O)CCCCCCCCCCOC9=CC=C(C=C9)N=NC
| PubChem CID | 91972138 |
|---|---|
| CAS | 1093077-77-0 |
| Molecular Weight (g/mol) | 2874.078 |
| SMILES | CCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCCCCCCC(=O)OCC(C(C(C(COC(=O)CCCCCCCCCCOC3=CC=C(C=C3)N=NC4=CC=C(C=C4)CCCCCC)OC(=O)CCCCCCCCCCOC5=CC=C(C=C5)N=NC6=CC=C(C=C6)CCCCCC)OC(=O)CCCCCCCCCCOC7=CC=C(C=C7)N=NC8=CC=C(C=C8)CCCCCC)OC(=O)CCCCCCCCCCOC9=CC=C(C=C9)N=NC |
| InChI Key | DMCHOYXACRXKRI-RDXCSIDZSA-N |
| Molecular Formula | C180H254N12O18 |
1-Benzoylpiperidine 98.0+%, TCI America™
CAS: 776-75-0 Molecular Formula: C12H15NO Molecular Weight (g/mol): 189.258 MDL Number: MFCD00023702 InChI Key: YXTROGRGRSPWKL-UHFFFAOYSA-N Synonym: 1-benzoylpiperidine,n-benzoylpiperidine,benzoylpiperidine,piperidine, 1-benzoyl,protectine i,phenyl piperidin-1-yl methanone,n-benzoylpiperidin,benzoic acid n-piperidide,alpha-repellin,benzoic acid, piperidide PubChem CID: 69892 IUPAC Name: phenyl(piperidin-1-yl)methanone SMILES: C1CCN(CC1)C(=O)C2=CC=CC=C2
| PubChem CID | 69892 |
|---|---|
| CAS | 776-75-0 |
| Molecular Weight (g/mol) | 189.258 |
| MDL Number | MFCD00023702 |
| SMILES | C1CCN(CC1)C(=O)C2=CC=CC=C2 |
| Synonym | 1-benzoylpiperidine,n-benzoylpiperidine,benzoylpiperidine,piperidine, 1-benzoyl,protectine i,phenyl piperidin-1-yl methanone,n-benzoylpiperidin,benzoic acid n-piperidide,alpha-repellin,benzoic acid, piperidide |
| IUPAC Name | phenyl(piperidin-1-yl)methanone |
| InChI Key | YXTROGRGRSPWKL-UHFFFAOYSA-N |
| Molecular Formula | C12H15NO |
DL-2-Hydroxybutyric Acid (contains Polymolecular esterification product) 95.0+%, TCI America™
CAS: 600-15-7 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD01318568,MFCD00070502 InChI Key: AFENDNXGAFYKQO-UHFFFAOYNA-N PubChem CID: 11266 ChEBI: CHEBI:1148 IUPAC Name: 2-hydroxybutanoic acid SMILES: CCC(O)C(O)=O
| PubChem CID | 11266 |
|---|---|
| CAS | 600-15-7 |
| Molecular Weight (g/mol) | 104.11 |
| ChEBI | CHEBI:1148 |
| MDL Number | MFCD01318568,MFCD00070502 |
| SMILES | CCC(O)C(O)=O |
| IUPAC Name | 2-hydroxybutanoic acid |
| InChI Key | AFENDNXGAFYKQO-UHFFFAOYNA-N |
| Molecular Formula | C4H8O3 |
1,2,4,5-Cyclohexanetetracarboxylic Dianhydride (purified by sublimation) 98.0+%, TCI America™
CAS: 2754-41-8 Molecular Formula: C10H8O6 Molecular Weight (g/mol): 224.17 MDL Number: MFCD13704912 InChI Key: LJMPOXUWPWEILS-UHFFFAOYNA-N PubChem CID: 14453667 IUPAC Name: 5,11-dioxatricyclo[7.3.0.0³,⁷]dodecane-4,6,10,12-tetrone SMILES: O=C1OC(=O)C2CC3C(CC12)C(=O)OC3=O
| PubChem CID | 14453667 |
|---|---|
| CAS | 2754-41-8 |
| Molecular Weight (g/mol) | 224.17 |
| MDL Number | MFCD13704912 |
| SMILES | O=C1OC(=O)C2CC3C(CC12)C(=O)OC3=O |
| IUPAC Name | 5,11-dioxatricyclo[7.3.0.0³,⁷]dodecane-4,6,10,12-tetrone |
| InChI Key | LJMPOXUWPWEILS-UHFFFAOYNA-N |
| Molecular Formula | C10H8O6 |
Methyl 3-Cyclohexene-1-carboxylate 98.0+%, TCI America™
CAS: 6493-77-2 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.18 MDL Number: MFCD00053266 InChI Key: IPUNVLFESXFVFH-UHFFFAOYNA-N Synonym: methyl cyclohex-3-enecarboxylate,3-cyclohexene-1-carboxylic acid methyl ester,methyl 3-cyclohexenecarboxylate,3-cyclohexene-1-carboxylic acid, methyl ester,methyl 3-cyclohexene-1-carboxylate,1-carbomethoxy-3-cyclohexene,methyl 4-cyclohexenecarboxylate,methyl 1,2,3,6-tetrahydrobenzoate,1,3-butadiene-methyl acrylate adduct,acmc-1bity PubChem CID: 96926 IUPAC Name: methyl cyclohex-3-ene-1-carboxylate SMILES: COC(=O)C1CCC=CC1
| PubChem CID | 96926 |
|---|---|
| CAS | 6493-77-2 |
| Molecular Weight (g/mol) | 140.18 |
| MDL Number | MFCD00053266 |
| SMILES | COC(=O)C1CCC=CC1 |
| Synonym | methyl cyclohex-3-enecarboxylate,3-cyclohexene-1-carboxylic acid methyl ester,methyl 3-cyclohexenecarboxylate,3-cyclohexene-1-carboxylic acid, methyl ester,methyl 3-cyclohexene-1-carboxylate,1-carbomethoxy-3-cyclohexene,methyl 4-cyclohexenecarboxylate,methyl 1,2,3,6-tetrahydrobenzoate,1,3-butadiene-methyl acrylate adduct,acmc-1bity |
| IUPAC Name | methyl cyclohex-3-ene-1-carboxylate |
| InChI Key | IPUNVLFESXFVFH-UHFFFAOYNA-N |
| Molecular Formula | C8H12O2 |
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 |
Benzoyl-beta-alanine 98.0+%, TCI America™
CAS: 3440-28-6 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00037293 InChI Key: CWXYHOHYCJXYFQ-UHFFFAOYSA-N Synonym: Betamipron PubChem CID: 71651 IUPAC Name: 3-benzamidopropanoic acid SMILES: C1=CC=C(C=C1)C(=O)NCCC(=O)O
| PubChem CID | 71651 |
|---|---|
| CAS | 3440-28-6 |
| Molecular Weight (g/mol) | 193.202 |
| MDL Number | MFCD00037293 |
| SMILES | C1=CC=C(C=C1)C(=O)NCCC(=O)O |
| Synonym | Betamipron |
| IUPAC Name | 3-benzamidopropanoic acid |
| InChI Key | CWXYHOHYCJXYFQ-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
Isoamyl Isobutyrate 98.0+%, TCI America™
CAS: 2050-01-3 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00053719 InChI Key: VFTGLSWXJMRZNB-UHFFFAOYSA-N Synonym: isoamyl isobutyrate,isopentyl isobutyrate,isobutyric acid isoamyl ester,propanoic acid, 2-methyl-, 3-methylbutyl ester,isobutyric acid, isopentyl ester,3-methylbutyl isobutyrate,isoamyl 2-methylpropanoate,isopentyl 2-methylpropanoate,isoamyl isobutanoate,isopentyl isobutanoate PubChem CID: 519786 ChEBI: CHEBI:87537 IUPAC Name: 3-methylbutyl 2-methylpropanoate SMILES: CC(C)CCOC(=O)C(C)C
| PubChem CID | 519786 |
|---|---|
| CAS | 2050-01-3 |
| Molecular Weight (g/mol) | 158.24 |
| ChEBI | CHEBI:87537 |
| MDL Number | MFCD00053719 |
| SMILES | CC(C)CCOC(=O)C(C)C |
| Synonym | isoamyl isobutyrate,isopentyl isobutyrate,isobutyric acid isoamyl ester,propanoic acid, 2-methyl-, 3-methylbutyl ester,isobutyric acid, isopentyl ester,3-methylbutyl isobutyrate,isoamyl 2-methylpropanoate,isopentyl 2-methylpropanoate,isoamyl isobutanoate,isopentyl isobutanoate |
| IUPAC Name | 3-methylbutyl 2-methylpropanoate |
| InChI Key | VFTGLSWXJMRZNB-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
1-Benzylhydantoin 98.0+%, TCI America™
CAS: 6777-05-5 Molecular Formula: C10H10N2O2 Molecular Weight (g/mol): 190.20 MDL Number: MFCD00466790 InChI Key: VJUNTPRQTFDQMF-UHFFFAOYSA-N PubChem CID: 2735485 IUPAC Name: 1-benzylimidazolidine-2,4-dione SMILES: C1C(=O)NC(=O)N1CC2=CC=CC=C2
| PubChem CID | 2735485 |
|---|---|
| CAS | 6777-05-5 |
| Molecular Weight (g/mol) | 190.20 |
| MDL Number | MFCD00466790 |
| SMILES | C1C(=O)NC(=O)N1CC2=CC=CC=C2 |
| IUPAC Name | 1-benzylimidazolidine-2,4-dione |
| InChI Key | VJUNTPRQTFDQMF-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2O2 |
Tris(2-carboxyethyl) Isocyanurate 98.0+%, TCI America™
CAS: 2904-41-8 Molecular Formula: C12H15N3O9 Molecular Weight (g/mol): 345.26 MDL Number: MFCD00059790 InChI Key: HENCHDCLZDQGIQ-UHFFFAOYSA-N Synonym: Isocyanuric Acid Tris(2-carboxyethyl) Ester PubChem CID: 73121 IUPAC Name: 3-[3,5-bis(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid SMILES: OC(=O)CCN1C(=O)N(CCC(O)=O)C(=O)N(CCC(O)=O)C1=O
| PubChem CID | 73121 |
|---|---|
| CAS | 2904-41-8 |
| Molecular Weight (g/mol) | 345.26 |
| MDL Number | MFCD00059790 |
| SMILES | OC(=O)CCN1C(=O)N(CCC(O)=O)C(=O)N(CCC(O)=O)C1=O |
| Synonym | Isocyanuric Acid Tris(2-carboxyethyl) Ester |
| IUPAC Name | 3-[3,5-bis(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid |
| InChI Key | HENCHDCLZDQGIQ-UHFFFAOYSA-N |
| Molecular Formula | C12H15N3O9 |
5-[2-(Methylthio)ethyl]hydantoin 99.0+%, TCI America™
CAS: 13253-44-6 Molecular Formula: C6H10N2O2S Molecular Weight (g/mol): 174.218 MDL Number: MFCD00143392 InChI Key: SBKRXUMXMKBCLD-UHFFFAOYSA-N PubChem CID: 567982 IUPAC Name: 5-(2-methylsulfanylethyl)imidazolidine-2,4-dione SMILES: CSCCC1C(=O)NC(=O)N1
| PubChem CID | 567982 |
|---|---|
| CAS | 13253-44-6 |
| Molecular Weight (g/mol) | 174.218 |
| MDL Number | MFCD00143392 |
| SMILES | CSCCC1C(=O)NC(=O)N1 |
| IUPAC Name | 5-(2-methylsulfanylethyl)imidazolidine-2,4-dione |
| InChI Key | SBKRXUMXMKBCLD-UHFFFAOYSA-N |
| Molecular Formula | C6H10N2O2S |
Propyl Gallate 98.0+%, TCI America™
CAS: 121-79-9 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.201 MDL Number: MFCD00002196 InChI Key: ZTHYODDOHIVTJV-UHFFFAOYSA-N Synonym: propyl gallate,n-propyl gallate,progallin p,tenox pg,nipagallin p,gallic acid, propyl ester,gallic acid propyl ester,nipa 49,benzoic acid, 3,4,5-trihydroxy-, propyl ester,3,4,5-trihydroxybenzene-1-propylcarboxylate PubChem CID: 4947 ChEBI: CHEBI:10607 IUPAC Name: propyl 3,4,5-trihydroxybenzoate SMILES: CCCOC(=O)C1=CC(=C(C(=C1)O)O)O
| PubChem CID | 4947 |
|---|---|
| CAS | 121-79-9 |
| Molecular Weight (g/mol) | 212.201 |
| ChEBI | CHEBI:10607 |
| MDL Number | MFCD00002196 |
| SMILES | CCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| Synonym | propyl gallate,n-propyl gallate,progallin p,tenox pg,nipagallin p,gallic acid, propyl ester,gallic acid propyl ester,nipa 49,benzoic acid, 3,4,5-trihydroxy-, propyl ester,3,4,5-trihydroxybenzene-1-propylcarboxylate |
| IUPAC Name | propyl 3,4,5-trihydroxybenzoate |
| InChI Key | ZTHYODDOHIVTJV-UHFFFAOYSA-N |
| Molecular Formula | C10H12O5 |
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 |
sec-Butyl Crotonate 97.0+%, TCI America™
CAS: 10371-45-6 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00059054 InChI Key: KAKJZWSUVDRWQU-GQCTYLIASA-N Synonym: Crotonic Acid sec-Butyl Ester PubChem CID: 5366041 IUPAC Name: butan-2-yl (E)-but-2-enoate SMILES: CCC(C)OC(=O)C=CC
| PubChem CID | 5366041 |
|---|---|
| CAS | 10371-45-6 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00059054 |
| SMILES | CCC(C)OC(=O)C=CC |
| Synonym | Crotonic Acid sec-Butyl Ester |
| IUPAC Name | butan-2-yl (E)-but-2-enoate |
| InChI Key | KAKJZWSUVDRWQU-GQCTYLIASA-N |
| Molecular Formula | C8H14O2 |
3-(2-Bromophenyl)propionic Acid 98.0+%, TCI America™
CAS: 15115-58-9 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD01310791 InChI Key: AOACQJFIGWNQBC-UHFFFAOYSA-N Synonym: 3-2-bromophenyl propionic acid,3-2-bromophenyl propanoic acid,benzenepropanoic acid, 2-bromo,3-2-bromophenyl propionicacid,3-2-bromo-phenyl-propionic acid,r-2-bromo-3-benzenepropanoic acid,pubchem15787,acmc-20a0iu,intermediates-zcf02152,2-bromobenzenepropionic acid PubChem CID: 316010 IUPAC Name: 3-(2-bromophenyl)propanoic acid SMILES: OC(=O)CCC1=CC=CC=C1Br
| PubChem CID | 316010 |
|---|---|
| CAS | 15115-58-9 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD01310791 |
| SMILES | OC(=O)CCC1=CC=CC=C1Br |
| Synonym | 3-2-bromophenyl propionic acid,3-2-bromophenyl propanoic acid,benzenepropanoic acid, 2-bromo,3-2-bromophenyl propionicacid,3-2-bromo-phenyl-propionic acid,r-2-bromo-3-benzenepropanoic acid,pubchem15787,acmc-20a0iu,intermediates-zcf02152,2-bromobenzenepropionic acid |
| IUPAC Name | 3-(2-bromophenyl)propanoic acid |
| InChI Key | AOACQJFIGWNQBC-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |