Cas no 24027-84-7 (Benzo[a]pyren-5-ol)
![Benzo[a]pyren-5-ol structure](https://ossimg.kuujia.com/scimg/24500/24027-84-7x500.png)
Benzo[a]pyren-5-ol structure
Product Name:Benzo[a]pyren-5-ol
Benzo[a]pyren-5-ol Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyren-5-ol
- 5-Hydroxy benzo[a]pyrene
- 5-Hydroxybenz(a)pyrene
- 5-Hydroxybenzo(a)pyrene
- 5-Hydroxy-benzo[a]pyren
- 5-hydroxy-benzo[a]pyrene
- 5-Hydroxy-benzo[def]chrysen
- 5-Hydroxy-benzo< a> pyren
- BENZO(a)PYREN-5-OL
- Benzo(a)pyrene, 5-hydroxy-
- Benzo[a]pyrenol-(5)
- benzo[def]chrysen-5-ol
- benzo[pqr]tetraphen-5-ol
- BRN 1982202
- UNII-CF64SCV84C
- BIDD:ER0427
- Q27116082
- CHEBI:34456
- 24027-84-7
- 5-Hydroxybenzo[a]pyrene
- CHEMBL1908023
- DTXSID10178769
- HYDROXYBENZO(A)PYRENE, 5-
- CF64SCV84C
- SCHEMBL7996318
-
- Inchi： 1S/C20H12O/c21-18-11-14-6-3-5-12-8-9-16-15-7-2-1-4-13(15)10-17(18)20(16)19(12)14/h1-11,21H
- InChI Key： ZQOKZAPJXRMEJW-UHFFFAOYSA-N
- SMILES： OC1=CC2=CC=CC3=CC=C4C5C=CC=CC=5C=C1C4=C23
Computed Properties
- Exact Mass: 268.08886
- Monoisotopic Mass: 268.088815
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 405
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 5.9
- Topological Polar Surface Area: 20.2
Experimental Properties
- Density: 1.0921 (rough estimate)
- Melting Point: 195.5°C (rough estimate)
- Boiling Point: 371.47°C (rough estimate)
- Flash Point: 252.9°C
- Refractive Index: 1.6220 (estimate)
- PSA: 20.23
Benzo[a]pyren-5-ol Related Literature
-
Gaston Knobel,Korina Calimag-Williams,Andres D. Campiglia Analyst 2012 137 5639
-
Mohammadreza Chehelamirani,Huiyong Wang,Anthony Santana,Andrés D. Campiglia Anal. Methods 2020 12 3998
24027-84-7 (Benzo[a]pyren-5-ol) Related Products
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