methyl 3-phenylbut-2-enoate
methyl 3-phenylbut-2-enoate
Also Known As: methyl 3-phenylbut-2-enoate|2-Butenoic acid, 3-phenyl-, methyl ester|2-Butenoic acid, 3-phenyl-, methyl ester, (E)-|2-Butenoic acid, 3-phenyl-, methyl ester, (Z)-
CAS: 5440-87-9
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08372 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| 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 | 5440-87-9 |
|---|---|
| SMILES | CC(=CC(=O)OC)C1=CC=CC=C1 |
| InChIKey | TYXHBFGDAZRKNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (6 patents)
Organic Building Blocks (13 patents)
Pharmaceutical Intermediates (4 patents)
Product Overview
methyl 3-phenylbut-2-enoate (CAS 5440-87-9), with molecular formula C11H12O2 and molecular weight 176.08372 g/mol. IUPAC: methyl 3-phenylbut-2-enoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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