Basic information
- CAS
64283-13-2- Standard SMILES
O[C@@H]1c2cccc3ccc4cc5ccccc5c(c4c23)[C@@H]1O- InChIKey
SGHZUKBSLLOHPU-UXHICEINSA-N- Molecular formula
- C20H14O2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.09937969
Overview
Benzo[a]pyrene-cis-11,12-dihydrodiol is a phenanthrol.
Names & identifiers
- Preferred name
- BENZO(a)PYRENE-11,12-DIOL, 11,12-DIHYDRO-, cis-
- IUPAC
- (11S,12R)-11,12-dihydrobenzo[a]pyrene-11,12-diol
Names & synonyms
BENZO(a)PYRENE-11,12-DIOL, 11,12-DIHYDRO-, cis-64283-13-2cis-Benzo(a)pyrene-11,12-dihydrodiol(11S,12R)-11,12-dihydrobenzo[a]pyrene-11,12-diolBRN 1888329Benzo(a)pyrene-cis-11,12-dihydrodiolBenzo[a]pyrene-cis-11,12-dihydrodiolBenzo(a)pyrene-cis-11,12-diolCHEBI:81635DTXSID20214501C18284cis-11, 12-Dihydro-11,12-benzo(a)pyrenediol
Show more names
Q27155524(11S,12R)-11,12-Dihydrobenzo[pqr]tetraphene-11,12-diol
Database identifiers
- CAS
64283-13-2- PubChem CID
- 47327
- DTXSID
DTXSID20214501- ChEBI
CHEBI:81635
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…