Basic information
- CAS
82735-49-7- Standard SMILES
CC1=C[C@@H](O)[C@H](O)c2cc3ccc4ccccc4c3cc21- InChIKey
CPYYFIDRYZIXSK-RTBURBONSA-N- Molecular formula
- C19H16O2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.11502975
Names & identifiers
- Preferred name
- (8R,9R)-8,9-Dihydro-8,9-dihydroxy-11-methylbenz(a)anthracene
- IUPAC
- (8R,9R)-11-methyl-8,9-dihydrobenzo[b]phenanthrene-8,9-diol
Names & synonyms
82735-49-7(8R,9R)-8,9-Dihydro-8,9-dihydroxy-11-methylbenz(a)anthraceneBenz(a)anthracene-8,9-diol, 8,9-dihydro-11-methyl-, (8R-trans)-
Database identifiers
- CAS
82735-49-7- PubChem CID
- 186263
- Nikkaji
- J611.127K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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