Benzo(a)pyren-9-ol, 7,8,9,10-tetrahydro-
Basic information
- CAS
17573-29-4- Standard SMILES
OC1CCc2cc3ccc4cccc5ccc(c2C1)c3c45- InChIKey
WJDNKJGWMKTBJQ-UHFFFAOYSA-N- Molecular formula
- C20H16O
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.12011513
Names & identifiers
- Preferred name
- Benzo(a)pyren-9-ol, 7,8,9,10-tetrahydro-
- IUPAC
- 7,8,9,10-tetrahydrobenzo[a]pyren-9-ol
- English name
- Benzo(A)pyren-9-ol, 7,8,9,10-tetrahydro-
- Molecular formula
- C20H16O
- Molecular weight
- 272.34
Names & synonyms
7,8,9,10-Tetrahydrobenzo(a)pyren-9-olBenzo(a)pyren-9-ol, 7,8,9,10-tetrahydro-17573-29-494849-97-5RefChem:326080DTXSID309152547,8,9,10-tetrahydrobenzo[pqr]tetraphen-9-olQ27465940
Database identifiers
- CAS
17573-29-4、94849-97-5- PubChem CID
- 186558
- DTXSID
DTXSID30915254
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
Physicochemical properties
- Boiling point
- 504.1 · 504.1±39.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- 14.76 · 14.76±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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