trans-7-Methylbenz(a)anthracene-8,9-dihydrodiol
Basic information
- CAS
64521-15-9- Standard SMILES
Cc1c2c(cc3c1ccc1ccccc13)C=C[C@@H](O)[C@@H]2O- InChIKey
WTKIOYHTJXWJPD-MJGOQNOKSA-N- Molecular formula
- C19H16O2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.11502975
Names & identifiers
- Preferred name
- trans-7-Methylbenz(a)anthracene-8,9-dihydrodiol
- IUPAC
- (8R,9R)-7-methyl-8,9-dihydrobenzo[a]anthracene-8,9-diol
Names & synonyms
trans-7-Methylbenz(a)anthracene-8,9-dihydrodiolBRN 507258564521-15-9trans-8,9-Dihydro-8,9-dihydroxy-7-methylbenz(a)anthraceneCCRIS 1117trans-8,9-dihydro-8,9-dihydroxy-7-methylbenz[a]anthraceneBENZ(a)ANTHRACENE, 8,9-DIHYDRO-8,9-DIHYDROXY-7-METHYL-, trans-
Database identifiers
- CAS
64521-15-9- PubChem CID
- 47414
- Nikkaji
- J1.156H
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
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Compound notes
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