Cas no 4235-08-9 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
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- AKOS024341214
- 3-methoxybenzo[c]phenanthrene
- 4235-08-9
- DTXSID50305618
- NSC171267
- NSC-171267
-
-
- Inchi： 1S/C19H14O/c1-20-16-10-11-18-15(12-16)9-8-14-7-6-13-4-2-3-5-17(13)19(14)18/h2-12H,1H3
- InChI Key： VLDCBFIYCGTNLT-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC2C(C=1)=CC=C1C=CC3C=CC=CC=3C=21
Computed Properties
- Exact Mass: 258.10452
- Monoisotopic Mass: 258.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 339
- 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: 6
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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