Cas no 52648-88-1 (ethanone, 1-(1,2,4-trimethyl-1h-pyrrol-3-yl)- (9ci))
52648-88-1 structure
Product Name:ethanone, 1-(1,2,4-trimethyl-1h-pyrrol-3-yl)- (9ci)
CAS No:52648-88-1
MF:C9H13NO
MW:151.205622434616
CID:937255
PubChem ID:14987238
Update Time:2025-04-19
ethanone, 1-(1,2,4-trimethyl-1h-pyrrol-3-yl)- (9ci) Chemical and Physical Properties
Names and Identifiers
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- ethanone, 1-(1,2,4-trimethyl-1h-pyrrol-3-yl)- (9ci)
- 1-(1,2,4-trimethyl-1H-pyrrol-3-yl)-ethanone
- 52648-88-1
- 1-(1,2,4-Trimethyl-1H-pyrrol-3-yl)ethanone
- SCHEMBL5201884
- QXJJLASVUVHFRM-UHFFFAOYSA-N
- 1-(1,2,4-Trimethyl-1Hpyrrol-3-yl)ethanone
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- Inchi： 1S/C9H13NO/c1-6-5-10(4)7(2)9(6)8(3)11/h5H,1-4H3
- InChI Key： QXJJLASVUVHFRM-UHFFFAOYSA-N
- SMILES： O=C(C)C1C(C)=CN(C)C=1C
Computed Properties
- Exact Mass: 151.099714038g/mol
- Monoisotopic Mass: 151.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 167
- 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: 1.1
- Topological Polar Surface Area: 22?2
ethanone, 1-(1,2,4-trimethyl-1h-pyrrol-3-yl)- (9ci) Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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