Basic information
- CAS
24027-84-7- Standard SMILES
Oc1cc2cccc3ccc4c5ccccc5cc1c4c32- InChIKey
ZQOKZAPJXRMEJW-UHFFFAOYSA-N- Molecular formula
- C20H12O
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.088815
Overview
5-Hydroxybenzo[a]pyrene is an ortho- and peri-fused polycyclic arene.
Names & identifiers
- Preferred name
- 5-Hydroxybenzo(a)pyrene
- IUPAC
- benzo[a]pyren-5-ol
- English name
- 5-HYDROXYBENZO[A]PYRENE
- Molecular formula
- C20H12O
- Molecular weight
- 268.31
Names & synonyms
5-Hydroxybenzo(a)pyrenebenzo[a]pyren-5-ol5-Hydroxybenzo[a]pyrene24027-84-75-Hydroxybenz(a)pyreneBENZO(a)PYREN-5-OLBenzo(a)pyrene, 5-hydroxy-UNII-CF64SCV84CCF64SCV84CBRN 1982202DTXSID10178769HYDROXYBENZO(A)PYRENE, 5-
Show more names
3-06-00-03809 (Beilstein Handbook Reference)RefChem:102864DTXCID20101260benzo[pqr]tetraphen-5-ol5-Hydroxy benzo[a]pyreneBIDD:ER0427SCHEMBL7774162SCHEMBL7996318
Database identifiers
- CAS
24027-84-7- PubChem CID
- 32191
- DTXSID
DTXSID10178769- ChEMBL
CHEMBL1908023- ChEBI
CHEBI:34456- UNII
- CF64SCV84C
- Nikkaji
- J2.767G
Properties
Computed structural properties
- XLogP
- 5.9
- 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
- Melting point
- 195.5 °C · 195.5°C (rough estimate)
- Boiling point
- 371.47 °C · 371.47°C (rough estimate)
- Density
- 1.0921 · 1.0921 (rough estimate)
- refractive index
- 1.622 · 1.6220 (estimate)
- color
- Yellow needles from toluene or by sublimation
- FDA UNII
- 64 SCV84C · CF64SCV84C
Chemistry & industry
Additional notes
DefinitionChEBI: 5-Hydroxybenzo[a]pyrene is an ortho- and peri-fused polycyclic arene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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