Benz(a)anthracene, 10,11-dihydro-10,11-dihydroxy-7,12-dimethyl-, (E)-
Basic information
- CAS
68162-14-1- Standard SMILES
Cc1c2c(c(C)c3c1ccc1ccccc13)[C@H](O)[C@@H](O)C=C2- InChIKey
PKGSJEQYYURMAR-FXAWDEMLSA-N- Molecular formula
- C20H18O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.13067981
Names & identifiers
- Preferred name
- Benz(a)anthracene, 10,11-dihydro-10,11-dihydroxy-7,12-dimethyl-, (E)-
- IUPAC
- (10S,11S)-7,12-dimethyl-10,11-dihydrobenzo[a]anthracene-10,11-diol
Names & synonyms
BRN 5080736trans-7,12-Dimethylbenz(a)anthracene-10,11-dihydrodiolBENZ(a)ANTHRACENE, 10,11-DIHYDRO-10,11-DIHYDROXY-7,12-DIMETHYL-, (E)-68162-14-1DTXSID60218341trans-10,11-Dihydro-10,11-dihydroxy-7,12-dimethylbenz(a)anthracenetrans-10,11-Dihydroxy-7,12-dimethyl-10,11-dihydrobenz(a)anthraceneRefChem:321014DTXCID80140832(10S,11S)-7,12-dimethyl-10,11-dihydrotetraphene-10,11-diol
Database identifiers
- CAS
68162-14-1- PubChem CID
- 50097
- DTXSID
DTXSID60218341- Nikkaji
- J458.023K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
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Related reactions
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Compound notes
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