Cas no 16354-47-5 (Benz[a]anthracene,7-methoxy-12-methyl-)
![Benz[a]anthracene,7-methoxy-12-methyl- structure](https://ossimg.kuujia.com/scimg/16500/16354-47-5x500.png)
16354-47-5 structure
Product Name:Benz[a]anthracene,7-methoxy-12-methyl-
Benz[a]anthracene,7-methoxy-12-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benz[a]anthracene,7-methoxy-12-methyl-
- 7-Methoxy-12-methylbenz[a]anthracene
- 7-methoxy-12-methyltetraphene
- DTXSID00936835
- 16354-47-5
- BRN 3098417
- 7-Methoxy-12-methylbenz(a)anthracene
- 7-methoxy-12-methylbenzo[a]anthracene
- Benz(a)anthracene, 7-methoxy-12-methyl-
- 7-Methoxy-12-methylbenzo[b]phenanthrene
-
- Inchi： 1S/C20H16O/c1-13-15-8-5-6-10-17(15)20(21-2)18-12-11-14-7-3-4-9-16(14)19(13)18/h3-12H,1-2H3
- InChI Key： NYOGCOVCKPOSCX-UHFFFAOYSA-N
- SMILES： O(C)C1C2C=CC=CC=2C(C)=C2C3C=CC=CC=3C=CC2=1
Computed Properties
- Exact Mass: 272.12018
- Monoisotopic Mass: 272.120115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 365
- 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
- Topological Polar Surface Area: 9.2
- XLogP3: 6
Experimental Properties
- Density: 1.0523 (rough estimate)
- Boiling Point: 375.4°C (rough estimate)
- Flash Point: 198.7°C
- Refractive Index: 1.6700 (estimate)
- PSA: 9.23
Benz[a]anthracene,7-methoxy-12-methyl- Related Literature
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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