3-Phenylheptanoic acid
3-phenylheptanoic acid
Also Known As: 3-Phenylheptanoic acid|beta-Butylbenzenepropanoic acid|A1-51423
CAS: 5638-30-2
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13068 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.13068 |
| Monoisotopic Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 5638-30-2 |
|---|---|
| SMILES | CCCCC(CC(=O)O)C1=CC=CC=C1 |
| InChIKey | YEUNYNJOKMJRMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Plastic Additives (3 patents)
Polymer Intermediates (1 patents)
Product Overview
3-Phenylheptanoic acid (CAS 5638-30-2), with molecular formula C13H18O2 and molecular weight 206.13068 g/mol. IUPAC: 3-phenylheptanoic acid.
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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