Cas no 62128-43-2 (Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-3-yl)-)
62128-43-2 structure
Product Name:Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-3-yl)-
CAS No:62128-43-2
MF:C13H13NO
MW:199.248423337936
CID:457113
PubChem ID:3714262
Update Time:2025-04-19
Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-3-yl)- Chemical and Physical Properties
Names and Identifiers
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- Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-3-yl)-
- (4-methylphenyl)-(1-methylpyrrol-3-yl)methanone
- (1-methyl-1H-pyrrol-3-yl)(p-tolyl)methanone
- 62128-43-2
- DTXSID00395403
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- Inchi： 1S/C13H13NO/c1-10-3-5-11(6-4-10)13(15)12-7-8-14(2)9-12/h3-9H,1-2H3
- InChI Key： FTMWXEIFZVGUDO-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C)=CC=1)C1C=CN(C)C=1
Computed Properties
- Exact Mass: 199.09979
- Monoisotopic Mass: 199.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 231
- 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: 2.4
- Topological Polar Surface Area: 22?2
Experimental Properties
- PSA: 22
Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-3-yl)- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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