Benz(a)anthracene-3,4-diol, 3,4-dihydro-8-methyl-, trans-
Basic information
- CAS
94849-77-1- Standard SMILES
Cc1cccc2cc3c4c(ccc3cc12)[C@H](O)[C@@H](O)C=C4- InChIKey
RLPGORZOLJISJF-OALUTQOASA-N- Molecular formula
- C19H16O2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.11502975
Names & identifiers
- Preferred name
- Benz(a)anthracene-3,4-diol, 3,4-dihydro-8-methyl-, trans-
- IUPAC
- (3S,4S)-8-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
Names & synonyms
Benz(a)anthracene-3,4-diol, 3,4-dihydro-8-methyl-, trans-94849-77-1(3s,4s)-8-methyl-3,4-dihydrotetraphene-3,4-diolDTXSID10241649
Database identifiers
- CAS
94849-77-1- PubChem CID
- 190191
- DTXSID
DTXSID10241649
Properties
Computed structural properties
- XLogP
- 3.4
- 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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