Benzo(a)anthracene-5,6-diol, 5,6-dihydro-11-methyl-, (5R,6R)-rel-
Basic information
- CAS
94903-91-0- Standard SMILES
Cc1cccc2cc3c(cc12)-c1ccccc1[C@H](O)[C@H]3O- InChIKey
ZTFRCEDCJGDPDQ-OALUTQOASA-N- Molecular formula
- C19H16O2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.11502975
Names & identifiers
- Preferred name
- Benzo(a)anthracene-5,6-diol, 5,6-dihydro-11-methyl-, (5R,6R)-rel-
- IUPAC
- (5S,6S)-11-methyl-5,6-dihydrobenzo[c]anthracene-5,6-diol
Names & synonyms
Benzo(a)anthracene-5,6-diol, 5,6-dihydro-11-methyl-, (5R,6R)-rel-94903-91-0
Database identifiers
- CAS
94903-91-0- PubChem CID
- 186579
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
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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