Basic information
- CAS
66788-06-5- Standard SMILES
O[C@@H]1C=Cc2c(c3cccc4ccc5cccc2c5c43)[C@H]1O- InChIKey
XECJFZBDCQJWTA-UZLBHIALSA-N- Molecular formula
- C20H14O2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.09937969
Names & identifiers
- Preferred name
- (9R,10R)-9,10-dihydrobenzo[e]pyrene-9,10-diol
- IUPAC
- (9R,10R)-9,10-dihydrobenzo[e]pyrene-9,10-diol
Names & synonyms
(9R,10R)-9,10-dihydrobenzo[e]pyrene-9,10-diolB(e)P 9,10-dihydrodiolBRN 4489769BENZO(e)PYRENE, 9,10-DIHYDRO-9,10-DIHYDROXY-, (E)-DTXSID609853499,10-dihydrobenzo[e]pyrene-9,10-diol
Database identifiers
- CAS
66788-06-5- PubChem CID
- 48035
- DTXSID
DTXSID60985349
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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