3-Methyl-4-phenylbut-3-enoic acid
3-methyl-4-phenylbut-3-enoic acid
Also Known As: Benzalbutyric acid|beta-Benzalbutyrate|beta-Benzalbutyric acid|beta-Benzylidenebutyric acid|3-methyl-4-phenylbut-3-enoic acid|3-Methyl-4-phenyl-3-butenoic acid|3-Methyl-4-phenyl-3-butensaeure|EINECS 227-963-1|3-methyl-4-phenyl-but-3-enoic Acid|3-Butenoic acid, 3-methyl-4-phenyl-|3-Methyl-4-phenyl-2(or 3)-butenoic acid|2(or 3)-BUTENOIC ACID, 3-METHYL-4-PHENYL-
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08372 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.08372 |
| Monoisotopic Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 6052-53-5 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1)CC(=O)O |
| InChIKey | NGJLFMBOFBKYHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-4-phenylbut-3-enoic acid (CAS 6052-53-5), with molecular formula C11H12O2 and molecular weight 176.08372 g/mol. IUPAC: 3-methyl-4-phenylbut-3-enoic acid.
3-Methyl-4-phenylbut-3-enoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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