Cas no 38495-55-5 (Pyridinium, 3-benzoyl-1-methyl-)
38495-55-5 structure
Product Name:Pyridinium, 3-benzoyl-1-methyl-
CAS No:38495-55-5
MF:C13H12NO
MW:198.240483283997
CID:292268
PubChem ID:409757
Update Time:2025-04-19
Pyridinium, 3-benzoyl-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyridinium, 3-benzoyl-1-methyl-
- (1-methylpyridin-1-ium-3-yl)-phenylmethanone
- 3-BENZOYL-1-METHYLPYRIDIN-1-IUM
- 3-benzoyl-1-methylpyridinium
- AC-907/25005231
- 38495-55-5
- SCHEMBL10256967
- DTXSID90328381
-
- Inchi： 1S/C13H12NO/c1-14-9-5-8-12(10-14)13(15)11-6-3-2-4-7-11/h2-10H,1H3/q+1
- InChI Key： QYRCSCQNZOBIFU-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C1=CC=C[N+](C)=C1
Computed Properties
- Exact Mass: 198.09196
- Monoisotopic Mass: 198.091889006g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 221
- 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: 2.3
- Topological Polar Surface Area: 21?2
Experimental Properties
- PSA: 20.95
Pyridinium, 3-benzoyl-1-methyl- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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