3-Hydroxy-2-methoxy-6,7-dihydro-5H-benzo[7]annulen-5-one
Basic information
- CAS
71007-46-0- Standard SMILES
COc1cc2c(cc1O)C(=O)CCC=C2- InChIKey
HLDATACNFMKPRE-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- 3-Hydroxy-2-methoxy-6,7-dihydro-5H-benzo[7]annulen-5-one
- IUPAC
- 2-hydroxy-3-methoxy-7,8-dihydrobenzo[7]annulen-9-one
Names & synonyms
71007-46-0NSC244580DTXSID203116453-Hydroxy-2-methoxy-6,7-dihydro-5H-benzo[7]annulen-5-oneNSC-244580
Database identifiers
- CAS
71007-46-0- PubChem CID
- 316482
- DTXSID
DTXSID20311645
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
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Compound notes
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