Basic information
- CAS
64521-14-8- Standard SMILES
Cc1c2ccccc2cc2c3c(ccc12)[C@@H](O)[C@H](O)C=C3- InChIKey
UJJYHXUOXFTWOO-RTBURBONSA-N- Molecular formula
- C19H16O2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.11502975
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 3,4-DIHYDRO-3,4-DIHYDROXY-7-METHYL-, trans-
- IUPAC
- (3R,4R)-7-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
Names & synonyms
trans-7-Methylbenz(a)anthracene-3,4-dihydrodiol64521-14-8BENZ(a)ANTHRACENE, 3,4-DIHYDRO-3,4-DIHYDROXY-7-METHYL-, trans-CCRIS 11167-Mba 3,4-dihydrodiolBRN 5875000trans-3,4-Dihydro-3,4-dihydroxy-7-methylbenz(a)anthracene(3R,4R)-7-methyl-3,4-dihydrotetraphene-3,4-diolDTXSID90214795
Database identifiers
- CAS
64521-14-8- PubChem CID
- 47413
- DTXSID
DTXSID90214795- Nikkaji
- J1.154A
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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