Basic information
- CAS
98601-01-5- Standard SMILES
Cc1cc2ccccc2c2cc3c(cc12)C=C[C@H](O)[C@H]3O- InChIKey
IOJJROABOOBBCJ-OALUTQOASA-N- Molecular formula
- C19H16O2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.11502975
Names & identifiers
- Preferred name
- trans-10,11-Dihydroxy-10,11-dihydro-6-methylbenz(a)anthracene
- IUPAC
- (10S,11S)-6-methyl-10,11-dihydrobenzo[a]anthracene-10,11-diol
Names & synonyms
trans-10,11-Dihydroxy-10,11-dihydro-6-methylbenz(a)anthracene98601-01-53V6Q9V88AOCCRIS 539010,11-Dihydroxy-10,11-dihydro-6-methylbenz(a)anthracene, trnas-TRANS-10,11-DIHYDROXY-10,11-DIHYDRO-6-METHYLBENZ[A]ANTHRACENEUNII-3V6Q9V88AODTXSID00243733Q27258074(10S,11S)-6-Methyl-10,11-dihydrotetraphene-10,11-dioltrnas-10,11-dihydroxy-10,11-dihydro-6-methylbenz(a)anthraceneBENZ(A)ANTHRACENE-10,11-DIOL, 10,11-DIHYDRO-6-METHYL-, TRANS-
Database identifiers
- CAS
98601-01-5- PubChem CID
- 152176
- DTXSID
DTXSID00243733- UNII
- 3V6Q9V88AO
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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