Basic information
- CAS
64521-13-7- Standard SMILES
Cc1c2ccccc2cc2c3c(ccc12)C=C[C@@H](O)[C@@H]3O- InChIKey
FEAIBUITOVTPCD-MJGOQNOKSA-N- Molecular formula
- C19H16O2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.11502975
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 1,2-DIHYDRO-1,2-DIHYDROXY-7-METHYL-, (E)-
- IUPAC
- (1R,2R)-7-methyl-1,2-dihydrobenzo[a]anthracene-1,2-diol
Names & synonyms
trans-7-Methylbenz(a)anthracene-1,2-dihydrodiolBENZ(a)ANTHRACENE, 1,2-DIHYDRO-1,2-DIHYDROXY-7-METHYL-, (E)-BRN 449007864521-13-7trans-1,2-Dihydro-1,2-dihydroxy-7-methylbenz(a)anthracene(1R,2R)-7-METHYL-1,2-DIHYDROTETRAPHENE-1,2-DIOLDTXSID30214794
Database identifiers
- CAS
64521-13-7- PubChem CID
- 47412
- DTXSID
DTXSID30214794- Nikkaji
- J1.159B
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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