Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-, cis-
Basic information
- CAS
17550-74-2- Standard SMILES
O[C@@H]1CCc2c(cc3ccc4cccc5ccc2c3c45)[C@@H]1O- InChIKey
BZKFNBASVGRQMC-XLIONFOSSA-N- Molecular formula
- C20H16O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.11502975
Names & identifiers
- Preferred name
- Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-, cis-
- IUPAC
- (7S,8R)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol
Names & synonyms
17550-74-2Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-, cis-(7s,8r)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8-diol7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol cis-DTXSID609386737,8,9,10-Tetrahydrobenzo[def]chrysene-7,8-diolAE-646/118130497,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8-diol(7S,8R)-7,8,9,10-tetrahydrobenzo[def]chrysene-7,8-diol
Database identifiers
- CAS
17550-74-2- PubChem CID
- 167663
- DTXSID
DTXSID60938673
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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