Cas no 94500-43-3 (Benzo[a]pyrene-12-methanol(9CI))
![Benzo[a]pyrene-12-methanol(9CI) structure](https://ossimg.kuujia.com/scimg/95000/94500-43-3x500.png)
94500-43-3 structure
Product Name:Benzo[a]pyrene-12-methanol(9CI)
CAS No:94500-43-3
MF:C21H14O
MW:282.335265636444
CID:815223
PubChem ID:125163
Update Time:2025-04-19
Benzo[a]pyrene-12-methanol(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 12-hydroxymethylbenzo(a)pyrene
- benzo[a]pyren-12-ylmethanol
- Benzo[a]pyrene-12-methanol(9CI)
- Benzo[a]pyrene-12-methanol
- 12-HYDROXYMETHYLBENZO[A]PYRENE
- 94500-43-3
- CCRIS 5476
- 12-HMBP
- DTXSID80241510
- GGJ63PP5Z6
- {pentacyclo[10.6.2.0?,?.0?,??.0??,??]icosa-1(18),2(7),3,5,8,10,12,14,16,19-decaen-17-yl}methanol
-
- Inchi： 1S/C21H14O/c22-12-16-11-19-17-6-2-1-4-14(17)10-15-9-8-13-5-3-7-18(16)20(13)21(15)19/h1-11,22H,12H2
- InChI Key： QFZVPWWLRDQHEP-UHFFFAOYSA-N
- SMILES： OCC1C=C2C3C=CC=CC=3C=C3C=CC4=CC=CC=1C4=C23
Computed Properties
- Exact Mass: 282.104465066g/mol
- Monoisotopic Mass: 282.104465066g/mol
- 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: 5.4
- Topological Polar Surface Area: 20.2?2
Benzo[a]pyrene-12-methanol(9CI) Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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