Ketone, benzo(a)pyren-1-yl methyl-
Basic information
- CAS
4643-78-1- Standard SMILES
CC(=O)Cc1ccc2ccc3cc4ccccc4c4ccc1c2c34- InChIKey
BCNOLVWIYBZZOG-UHFFFAOYSA-N- Molecular formula
- C23H16O
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.12011513
Names & identifiers
- Preferred name
- Ketone, benzo(a)pyren-1-yl methyl-
- IUPAC
- 1-benzo[a]pyren-1-ylpropan-2-one
Names & synonyms
Ketone, benzo(a)pyren-1-yl methyl-4643-78-1SCHEMBL28634638DTXSID501968411-(Benzo[pqr]tetraphen-1-yl)propan-2-one
Database identifiers
- CAS
4643-78-1- PubChem CID
- 6452055
- DTXSID
DTXSID50196841
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…