Ethanone, 1-[4-(benzoyloxy)-2,6-dihydroxyphenyl]-
Basic information
- CAS
130471-75-9- Standard SMILES
CC(=O)c1c(O)cc(OC(=O)c2ccccc2)cc1O- InChIKey
ZLVNHCPQFPPBFU-UHFFFAOYSA-N- Molecular formula
- C15H12O5
- Average molar mass
- 272.25 g/mol
- Monoisotopic mass
- 272.06847348
Names & identifiers
- Preferred name
- Ethanone, 1-[4-(benzoyloxy)-2,6-dihydroxyphenyl]-
- IUPAC
- (4-acetyl-3,5-dihydroxyphenyl) benzoate
Names & synonyms
130471-75-94-acetyl-3,5-dihydroxyphenyl benzoateEthanone, 1-[4-(benzoyloxy)-2,6-dihydroxyphenyl]-DTXSID30393179AKOS024341153BENZOIC ACID 4-ACETYL-3,5-DIHYDROXY-PHENYL ESTER
Database identifiers
- CAS
130471-75-9- PubChem CID
- 3510568
- DTXSID
DTXSID30393179- Nikkaji
- J438.613B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
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Compound notes
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