Cas no 29852-45-7 (Benzo[a]pyrene-5-methanol(8CI,9CI))
![Benzo[a]pyrene-5-methanol(8CI,9CI) structure](https://ossimg.kuujia.com/scimg/30000/29852-45-7x500.png)
29852-45-7 structure
Product Name:Benzo[a]pyrene-5-methanol(8CI,9CI)
CAS No:29852-45-7
MF:C21H14O
MW:282.335265636444
CID:286778
PubChem ID:147318
Update Time:2025-04-19
Benzo[a]pyrene-5-methanol(8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyrene-5-methanol(8CI,9CI)
- Benzo(a)pyrene-5-methanol
- benzo[a]pyren-5-ylmethanol
- 29852-45-7
- DTXSID30183971
-
- Inchi： 1S/C21H14O/c22-12-16-10-15-6-3-5-13-8-9-18-17-7-2-1-4-14(17)11-19(16)21(18)20(13)15/h1-11,22H,12H2
- InChI Key： ICOQZYAIEYIFRU-UHFFFAOYSA-N
- SMILES： OCC1C=C2C=CC=C3C=CC4=C5C=CC=CC5=CC=1C4=C23
Computed Properties
- Exact Mass: 282.10452
- Monoisotopic Mass: 282.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 418
- 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
- XLogP3: 5.1
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.345
- Boiling Point: 542.4°C at 760 mmHg
- Flash Point: 235.9°C
- Refractive Index: 1.888
- PSA: 20.23
Benzo[a]pyrene-5-methanol(8CI,9CI) Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jason Wan Lab Chip, 2020,20, 4528-4538
29852-45-7 (Benzo[a]pyrene-5-methanol(8CI,9CI)) Related Products
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