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Basic information
- CAS
51689-89-5- Standard SMILES
O[C@@H]1c2cccc3ccc4c5ccccc5cc(c4c23)[C@@H]1O- InChIKey
OYOQHRXJXXTZII-UXHICEINSA-N- Molecular formula
- C20H14O2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.09937969
Names & identifiers
- Preferred name
- BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis-
- IUPAC
- (4R,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol
Names & synonyms
51689-89-5cis-Benzo(a)pyrene-4,5-dihydrodiolBENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis-Benzo[a]pyrene-cis-4,5-dihydrodiol(4R,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diolBenzo(a)pyrene-cis-4,5-dihydrodiolCCRIS 787CIS-BENZO[A]PYRENE-4,5-DIHYDRODIOLCHEBI:81621Benzo[a]pyrene-4,5-diol, 4,5-dihydro-, (4R,5S)-rel-DTXSID80199643C18270
Show more names
(4R,5S)-4,5-Dihydrobenzo[pqr]tetraphene-4,5-diolQ27155509
Database identifiers
- CAS
51689-89-5- PubChem CID
- 40086
- DTXSID
DTXSID80199643- ChEBI
CHEBI:81621- Nikkaji
- J376.030H
Properties
Computed structural propertiesFilling in
- 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
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Compound notes
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