7-Oxocyclohepta-1,3,5-trien-1-YL benzoate
(7-oxocyclohepta-1,3,5-trien-1-yl) benzoate
Also Known As: BAS 01280695|7-OXOCYCLOHEPTA-1,3,5-TRIEN-1-YL BENZOATE|(7-oxocyclohepta-1,3,5-trien-1-yl) benzoate|Benzoic acid 7-oxo-cyclohepta-1,3,5-trienyl ester
CAS: 58244-35-2
| Molecular Formula | C14H10O3 |
|---|---|
| Molecular Weight | 226.06299 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.06299 |
| Monoisotopic Mass | 226.06299 |
| Heavy Atoms | 17 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 58244-35-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=CC=CC2=O |
| InChIKey | ZTPMGAMUGQNJMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Pharmaceutical Intermediates (14 patents)
Product Overview
7-Oxocyclohepta-1,3,5-trien-1-YL benzoate (CAS 58244-35-2), with molecular formula C14H10O3 and molecular weight 226.06299 g/mol. IUPAC: (7-oxocyclohepta-1,3,5-trien-1-yl) benzoate.
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 →
7-Oxocyclohepta-1,3,5-trien-1-YL benzoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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