Basic information
- CAS
28622-86-8- Standard SMILES
OC1c2cccc3ccc4cc5ccccc5c(c4c23)C1O- InChIKey
SGHZUKBSLLOHPU-UHFFFAOYSA-N- Molecular formula
- C20H14O2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.09937969
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 11,12-Dihydro-11,12-dihydroxybenzo(a)pyrene
- IUPAC
- 11,12-dihydrobenzo[a]pyrene-11,12-diol
- English name
- 11,12-dihydro-11,12-dihydroxybenzo(a)pyrene
- Molecular weight
- 0
Names & synonyms
28622-86-811,12-Dihydro-11,12-dihydroxybenzo(a)pyreneBENZO(A)PYRENE-11,12-DIHYDRODIOLRefChem:7771111,12-Dihydrobenzo(a)pyrene-11,12-diol11,12-dihydrobenzo[a]pyrene-11,12-diolBRN 1888329BENZO(a)PYRENE-11,12-DIOL, 11,12-DIHYDRO-DTXSID5095129011,12-Dihydrobenzo[pqr]tetraphene-11,12-diolcis-11,12-dihydroxy-11,12-dihydro-benzo[a]pyrene
Database identifiers
- CAS
28622-86-8- PubChem CID
- 34293
- DTXSID
DTXSID50951290- Nikkaji
- J3.588.989B
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…