Cas no 138142-86-6 (Benz[a]anthracene-1,2-diol)
![Benz[a]anthracene-1,2-diol structure](https://ossimg.kuujia.com/scimg/138500/138142-86-6x500.png)
Benz[a]anthracene-1,2-diol structure
Product Name:Benz[a]anthracene-1,2-diol
CAS No:138142-86-6
MF:C18H12O2
MW:260.286684989929
CID:1251173
PubChem ID:21120401
Update Time:2025-04-20
Benz[a]anthracene-1,2-diol Chemical and Physical Properties
Names and Identifiers
-
- Benz[a]anthracene-1,2-diol
- benzo[a]anthracene-1,2-diol
- TETRAPHENE-1,2-DIOL
- DTXSID40610884
- 138142-86-6
- SCHEMBL15477096
- benz[a]anthracene diol
-
- Inchi： 1S/C18H12O2/c19-16-8-7-11-5-6-14-9-12-3-1-2-4-13(12)10-15(14)17(11)18(16)20/h1-10,19-20H
- InChI Key： PYSAYERBOZLKDQ-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC2C=CC3=CC4C=CC=CC=4C=C3C=21)O
Computed Properties
- Exact Mass: 260.08376
- Monoisotopic Mass: 260.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 355
- 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
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
Benz[a]anthracene-1,2-diol Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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