Basic information
- CAS
58886-98-9- Standard SMILES
O[C@H]1C=Cc2cc3ccc4cccc5ccc(c2[C@@H]1O)c3c45- InChIKey
GHARBPKRUUKTCI-OXJNMPFZSA-N- Molecular formula
- C20H14O2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.09937969
Names & identifiers
- Preferred name
- trans-9,10-Dihydroxy-9,10-dihydrobenzo[a]pyrene
- IUPAC
- (9S,10S)-9,10-dihydrobenzo[a]pyrene-9,10-diol
Names & synonyms
trans-9,10-dihydroxy-9,10-dihydrobenzo[a]pyreneDTXSID201244421NS00121605(9S,10S)-9,10-dihydrobenzo[pqr]tetraphene-9,10-diol
Database identifiers
- CAS
58886-98-9- PubChem CID
- 42297
- DTXSID
DTXSID201244421- Nikkaji
- J346.633G
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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