4,5,9,10-Tetrahydrobenzo[e]pyrene-4,5,9,10-tetrol
Basic information
- CAS
87068-90-4- Standard SMILES
OC1C=Cc2c(c3cccc4c3c3c(cccc23)C(O)C4O)C1O- InChIKey
YOELBPFBNRUXAY-UHFFFAOYSA-N- Molecular formula
- C20H16O4
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.10485899
Names & identifiers
- Preferred name
- 4,5,9,10-Tetrahydrobenzo[e]pyrene-4,5,9,10-tetrol
- IUPAC
- 4,5,9,10-tetrahydrobenzo[l]pyrene-4,5,9,10-tetrol
Names & synonyms
87068-90-44,5,9,10-tetrahydrobenzo[e]pyrene-4,5,9,10-tetrolDTXSID7010073114,5,11,12-Tetrahydrobenzo(e)pyrene-4,5,11,12-tetrol
Database identifiers
- CAS
87068-90-4- PubChem CID
- 187604
- DTXSID
DTXSID701007311
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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