6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime
Basic information
- CAS
50823-51-3- Standard SMILES
COc1cc2c(c(O)c1OC)C/C(=N\O)CCC2- InChIKey
ZAWMFRNLJVIEGY-ZROIWOOFSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime
- IUPAC
- (6Z)-6-hydroxyimino-2,3-dimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-4-ol
Names & synonyms
6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, oxime50823-51-3RefChem:1074167BRN 26590922,3-Dimethoxy-4-hydroxy-6-oximidobenzocycloheptane2,3-Dimethoxy-4-hydroxy-5,7,8,9-tetrahydro-6H-benzocyclohepten-6-one oxime5,7,8,9-Tetrahydro-2,3-dimethoxy-4-hydroxy-6H-benzocyclohepten-6-one oxime
Database identifiers
- CAS
50823-51-3- PubChem CID
- 6509882
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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