Cas no 66618-82-4 (4-Methyl-2-oxo-valeric acid amide)
66618-82-4 structure
Product Name:4-Methyl-2-oxo-valeric acid amide
CAS No:66618-82-4
MF:C6H11NO2
MW:129.1570
CID:5065012
Update Time:2024-03-02
4-Methyl-2-oxo-valeric acid amide Chemical and Physical Properties
Names and Identifiers
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- 4-Methyl-2-oxopentanamide
- 4-methyl-2-oxo-valeric acid amide
- 4-Methyl-2-oxo-valeric acid amide
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- Inchi： 1S/C6H11NO2/c1-4(2)3-5(8)6(7)9/h4H,3H2,1-2H3,(H2,7,9)
- InChI Key： LGLCQUKYWVNOHJ-UHFFFAOYSA-N
- SMILES： O=C(C(N([H])[H])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 129
- XLogP3: 0.3
- Topological Polar Surface Area: 60.2
4-Methyl-2-oxo-valeric acid amide Related Literature
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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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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