BENZ(a)ANTHRACENE, 10,11-DIHYDRO-10,11-DIHYDROXY-, (E)-

HCID 43511

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Basic information

CAS: 60967-90-0
Standard SMILES: O[C@@H]1C=Cc2cc3ccc4ccccc4c3cc2[C@H]1O
InChIKey: QMZBNBYLXIIEFF-QZTJIDSGSA-N
Molecular formula: C18H14O2
Average molar mass: 262.3 g/mol
Monoisotopic mass: 262.09937969

Names & identifiers

Preferred name: BENZ(a)ANTHRACENE, 10,11-DIHYDRO-10,11-DIHYDROXY-, (E)-
IUPAC: (10R,11R)-10,11-dihydrobenzo[a]anthracene-10,11-diol

Names & synonyms

60967-90-0Benz(a)anthracene-10,11-diol, 10,11-dihydro-, trans-BENZ(a)ANTHRACENE, 10,11-DIHYDRO-10,11-DIHYDROXY-, (E)-BA 10,11-DihydrodiolBRN 5046988Benz(a)anthracene-10,11-dihydrodioltrans-10,11-Dihydroxy-10,11-dihydrobenz(a)anthraceneDTXSID80209812(10R,11R)-10,11-Dihydrotetraphene-10,11-diol

Database identifiers

CAS: 60967-90-0
PubChem CID: 43511
DTXSID: DTXSID80209812

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 20
Formal charge: 0
Complexity: 391

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