Basic information
- CAS
79418-83-0- Standard SMILES
Cc1cccc2c1cc1ccc3c(O)ccc4ccc2c1c43- InChIKey
SICNFFZLNVZEST-UHFFFAOYSA-N- Molecular formula
- C21H14O
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.10446507
Names & identifiers
- Preferred name
- Benzo(a)pyren-3-ol, 7-methyl-
- IUPAC
- 7-methylbenzo[a]pyren-3-ol
Names & synonyms
Benzo(a)pyren-3-ol, 7-methyl-79418-83-07-methylbenzo[pqr]tetraphen-3-olDTXSID50229643
Database identifiers
- CAS
79418-83-0- PubChem CID
- 187166
- DTXSID
DTXSID50229643
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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