Benzo(a)pyrene-6-ethanol
Basic information
- CAS
105708-69-8- Standard SMILES
OCCc1c2ccccc2c2ccc3cccc4ccc1c2c43- InChIKey
UBBKCKHBOHFLQS-UHFFFAOYSA-N- Molecular formula
- C22H16O
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.12011513
Names & identifiers
- Preferred name
- Benzo(a)pyrene-6-ethanol
- IUPAC
- 2-benzo[b]pyren-6-ylethanol
Names & synonyms
Benzo(a)pyrene-6-ethanol105708-69-8DTXSID401472612-(Benzo[pqr]tetraphen-6-yl)ethan-1-ol
Database identifiers
- CAS
105708-69-8- PubChem CID
- 149701
- DTXSID
DTXSID40147261
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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