Cas no 62128-31-8 (Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-2-yl)-)
62128-31-8 structure
Product Name:Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-2-yl)-
CAS No:62128-31-8
MF:C13H13NO
MW:199.248423337936
CID:457124
PubChem ID:3648688
Update Time:2025-04-19
Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-2-yl)- Chemical and Physical Properties
Names and Identifiers
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- Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-2-yl)-
- (4-methylphenyl)-(1-methylpyrrol-2-yl)methanone
- 1-Methyl-d3-2-(4-methylbenzoyl)pyrrole
- 62128-31-8
- DTXSID00394638
- SCHEMBL5216279
- (1-methyl-1H-pyrrol-2-yl)(p-tolyl)methanone
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- Inchi： 1S/C13H13NO/c1-10-5-7-11(8-6-10)13(15)12-4-3-9-14(12)2/h3-9H,1-2H3
- InChI Key： WKUBFPPJDMDEFL-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C)=CC=1)C1=CC=CN1C
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: 2.7
- Topological Polar Surface Area: 22?2
Experimental Properties
- PSA: 22
Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-2-yl)- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
62128-31-8 (Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-2-yl)-) Related Products
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