Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)-
Basic information
- CAS
66788-03-2- Standard SMILES
OC1CCc2c(c3cccc4ccc5cccc2c5c43)C1O- InChIKey
UCQYQDPJNXMWST-UHFFFAOYSA-N- Molecular formula
- C20H16O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.11502975
Names & identifiers
- Preferred name
- Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)-
- IUPAC
- 9,10,11,12-tetrahydrobenzo[e]pyrene-9,10-diol
Names & synonyms
66788-03-2B(e)P H4-9,10-DiolBenzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)-trans-9,10-Dihydroxy-9,10,11,12-tetrahydrobenzo(e)pyreneBenzo(e)pyrene, 9,10-dihydroxy-9,10,11,12-tetrahydro-, (E)-9,10,11,12-tetrahydrobenzo[e]pyrene-9,10-diolDTXSID00985348
Database identifiers
- CAS
66788-03-2- PubChem CID
- 149398
- DTXSID
DTXSID00985348
Properties
Computed structural properties
- XLogP
- 4
- 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
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Compound notes
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