trans-11-Methyl-8,9-dihydrobenz(a)anthracene-8,9-diol
Basic information
- CAS
83462-60-6- Standard SMILES
CC1=C[C@H](O)[C@@H](O)c2cc3ccc4ccccc4c3cc21- InChIKey
CPYYFIDRYZIXSK-OALUTQOASA-N- Molecular formula
- C19H16O2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.11502975
Names & identifiers
- Preferred name
- trans-11-Methyl-8,9-dihydrobenz(a)anthracene-8,9-diol
- IUPAC
- (8S,9S)-11-methyl-8,9-dihydrobenzo[b]phenanthrene-8,9-diol
Names & synonyms
trans-11-Methyl-8,9-dihydrobenz(a)anthracene-8,9-diol83462-60-6Benz(a)anthracene-8,9-diol, 8,9-dihydro-11-methyl-, trans-(8s,9s)-11-methyl-8,9-dihydrotetraphene-8,9-diolDTXSID60915227CPYYFIDRYZIXSK-OALUTQOASA-N(8S,9S)-11-methyl-8,9-dihydrobenzo[b]phenanthrene-8,9-diol94903-88-511-Methyl-8,9-dihydrotetraphene-8,9-diol11-Methyl-8,9-dihydrobenzo[a]anthracene-8,9-diol #trans-8,9-Dihydro-11-methylbenz(a)anthracene-8,9-diol
Database identifiers
- CAS
83462-60-6、94903-88-5- PubChem CID
- 186576
- DTXSID
DTXSID60915227- Nikkaji
- J611.126B
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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