Basic information
- CAS
94849-93-1- Standard SMILES
OC1CCc2c(cc3ccc4cccc5ccc2c3c45)C1- InChIKey
HVEILYLSYPATAK-UHFFFAOYSA-N- Molecular formula
- C20H16O
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.12011513
Names & identifiers
- Preferred name
- Benzo(a)pyren-8-ol, 7,8,9,10-tetrahydro-
- IUPAC
- 7,8,9,10-tetrahydrobenzo[a]pyren-8-ol
Names & synonyms
94849-93-1Benzo(a)pyren-8-ol, 7,8,9,10-tetrahydro-DTXSID109152577,8,9,10-Tetrahydrobenzo(a)pyren-8-ol7,8,9,10-Tetrahydrobenzo[pqr]tetraphen-8-ol
Database identifiers
- CAS
94849-93-1- PubChem CID
- 186554
- DTXSID
DTXSID10915257
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…