Basic information
- CAS
37994-80-2- Standard SMILES
O[C@H]1CCc2c(cc3ccc4cccc5ccc2c3c45)[C@@H]1O- InChIKey
BZKFNBASVGRQMC-PXNSSMCTSA-N- Molecular formula
- C20H16O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.11502975
Names & identifiers
- Preferred name
- trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol
- IUPAC
- (7S,8S)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol
- English name
- Benzo(A)pyrene-7,8-diol, 7,8,9,10-tetrahydro-, trans-(+-)-
- Molecular formula
- C20H16O2
- Molecular weight
- 288.33984
Names & synonyms
trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol37994-80-2Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-, trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol trans-(+-)-Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-, trans-(+-)-64314-00-7
Database identifiers
- CAS
37994-80-2、64314-00-7- PubChem CID
- 148231
- Nikkaji
- J894.369I
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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