7-Benzyl-O-esculetin
6-hydroxy-7-phenylmethoxychromen-2-one
Also Known As: 7-Benzyl-O-esculetin|Esculetin-7-benzyl ether|6-hydroxy-7-phenylmethoxychromen-2-one|7-(benzyloxy)-6-hydroxy-2H-chromen-2-one|7-benzyloxy-6-hydroxycoumarin|7-Benzyloxy-6-hydroxy-chromen-2-one|6,7-DIHYDROXYCOUMARIN-7-BENZYL ETHER|6,7-DIHYDROXYCOUMARIN-7-BENZYLETHER|B-1050|6-hydroxy-7-phenylmethoxy-2H-1-benzopyran-2-one|AG-690/33349013
CAS: 895-61-4
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07355 g/mol |
| LogP | 3.0776 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.07355 |
| Monoisotopic Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 790.4311 |
Chemical Identifiers
| CAS Number | 895-61-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C3C=CC(=O)OC3=C2)O |
Product Overview
7-Benzyl-O-esculetin (CAS 895-61-4), with molecular formula C16H12O4 and molecular weight 268.07355 g/mol. IUPAC: 6-hydroxy-7-phenylmethoxychromen-2-one.
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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