Cas no 27793-93-7 (Butanamide,2-formyl-3-oxo-)
Butanamide,2-formyl-3-oxo- structure
Product Name:Butanamide,2-formyl-3-oxo-
CAS No:27793-93-7
MF:C5H7NO3
MW:129.113981485367
CID:279123
Update Time:2024-01-27
Butanamide,2-formyl-3-oxo- Chemical and Physical Properties
Names and Identifiers
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- Butanamide,2-formyl-3-oxo-
- Acetoacetamide, 2-formyl-
- Malonaldehydamide,2-acetyl- (8CI)
- Butanamide, 2-formyl-3-oxo- (9CI)
- Butanamide, 2-formyl-3-oxo-
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- Inchi： 1S/C5H7NO3/c1-3(8)4(2-7)5(6)9/h2,4H,1H3,(H2,6,9)
- InChI Key： GKXDCRDXPLHDFG-UHFFFAOYSA-N
- SMILES： C(N)(=O)C(C=O)C(=O)C
Computed Properties
- Exact Mass: 129.04261
- Monoisotopic Mass: 129.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 152
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.2A^2
Experimental Properties
- PSA: 77.23
Butanamide,2-formyl-3-oxo- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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