3-(4-tert-Butylbenzoyl)acrylic acid
(E)-4-(4-tert-butylphenyl)-4-oxobut-2-enoic acid
Also Known As: 3-(4-tert-Butylbenzoyl)acrylic acid|3-4-tert-butylbenzoylacrylic acid|(2E)-4-(4-tert-butylphenyl)-4-oxobut-2-enoic acid|(E)-4-(4-(tert-Butyl)phenyl)-4-oxobut-2-enoic acid|HH-0056|(E)-3-(4-tert-Butylbenzoyl)acrylic acid|4-(4-tert-butylphenyl)-4-oxobut-2-enoic acid|(E)-3-[4-(tert-Butyl)benzoyl]acrylic acid|3-[(4-FLUOROPHENYL)THIO]PROPANOICACID|4-(4-(tert-Butyl)phenyl)-4-oxobut-2-enoic acid|J1.394.199H|J2.821.576B|(E)-4-(4-tert-butylphenyl)-4-oxobut-2-enoic acid|4-Oxo-4-(4-tert-butylphenyl)-2-butenoic acid|(2E)-4-[4-(tert-butyl)phenyl]-4-oxobut-2-enoic acid|(E)-4-(4-(tert-Butyl)phenyl)-4-oxobut-2-enoicacid|(E)-4-(4-tert-butylphenyl)-4-oxo-but-2-enoic acid|2-butenoic acid, 4-[4-(1,1-dimethylethyl)phenyl]-4-oxo-, (2E)-|(2E)-4-[4-(2-Methyl-2-propanyl)phenyl]-4-oxo-2-butenoic acid
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.10994 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.10994 |
| Monoisotopic Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 29685-73-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)/C=C/C(=O)O |
| InChIKey | APBQKTQKFFYBES-CMDGGOBGSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-tert-Butylbenzoyl)acrylic acid (CAS 29685-73-2), with molecular formula C14H16O3 and molecular weight 232.10994 g/mol. IUPAC: (E)-4-(4-tert-butylphenyl)-4-oxobut-2-enoic acid.