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Basic information
- Standard SMILES
O[C@@H]1c2c(cc3ccc4cccc5ccc2c3c45)C=C[C@@H]1O- InChIKey
GHARBPKRUUKTCI-JXFKEZNVSA-N- Molecular formula
- C20H14O2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.09937969
Names & identifiers
- Preferred name
- Benzo(a)pyrene-cis-9,10-dihydrodiol
- IUPAC
- (9S,10R)-9,10-dihydrobenzo[a]pyrene-9,10-diol
Names & synonyms
Benzo(a)pyrene-cis-9,10-dihydrodiolcis-9,10-dihydro-9,10-benzo(a)pyrenediol
Database identifiers
- PubChem CID
- 43383
- Nikkaji
- J1.263.553B
Properties
Computed structural propertiesFilling in
- 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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