Basic information
- CAS
65763-32-8- Standard SMILES
Cc1c2c(c(C)c3c1ccc1ccccc13)C=C[C@@H](O)[C@@H]2O- InChIKey
MGVSNRUTBCLGBA-XLIONFOSSA-N- Molecular formula
- C20H18O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.13067981
Names & identifiers
- Preferred name
- trans-8,9-Dihydro-8,9-dihydroxy-dmba
- IUPAC
- (8R,9R)-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol
Names & synonyms
CCRIS 975trans-8,9-Dihydro-8,9-dihydroxy-dmbatrans-7,12-Dimethylbenz(a)anthracene-8,9-dihydrodiol65763-32-8trans-8,9-Dihydro-8,9-dihydroxy-7,12-dimethylbenz(a)anthraceneDTXSID70215967BENZ(a)ANTHRACENE, 8,9-DIHYDRO-8,9-DIHYDROXY-7,12-DIMETHYL-, (E)-(+-)-trans-8,9-Dihydroxy-8,9-dihydrodimethylbenz(a)anthraceneRefChem:385696DTXCID00138458(8R,9R)-7,12-DIMETHYL-8,9-DIHYDROTETRAPHENE-8,9-DIOL(+/-)-TRANS-8,9-DIHYDROXY-8,9-DIHYDRODIMETHYLBENZ[A]ANTHRACENE
Database identifiers
- CAS
65763-32-8- PubChem CID
- 47723
- DTXSID
DTXSID70215967- Nikkaji
- J458.020F
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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