Cas no 88043-69-0 (Butanamide, N-(1-acetyl-2-oxopropyl)-)
88043-69-0 structure
Product Name:Butanamide, N-(1-acetyl-2-oxopropyl)-
CAS No:88043-69-0
MF:C9H15NO3
MW:185.220302820206
CID:647492
PubChem ID:13388128
Update Time:2025-04-19
Butanamide, N-(1-acetyl-2-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanamide, N-(1-acetyl-2-oxopropyl)-
- N-(2,4-dioxopentan-3-yl)butanamide
- 3-butyramido-2,4-pentanedione
- SCHEMBL11001077
- DTXSID50539057
- AKUVDBJKJRGYAL-UHFFFAOYSA-N
- 88043-69-0
-
- Inchi： 1S/C9H15NO3/c1-4-5-8(13)10-9(6(2)11)7(3)12/h9H,4-5H2,1-3H3,(H,10,13)
- InChI Key： AKUVDBJKJRGYAL-UHFFFAOYSA-N
- SMILES： O=C(CCC)NC(C(C)=O)C(C)=O
Computed Properties
- Exact Mass: 185.10519334g/mol
- Monoisotopic Mass: 185.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 209
- 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: 0.1
- Topological Polar Surface Area: 63.2?2
Butanamide, N-(1-acetyl-2-oxopropyl)- Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
88043-69-0 (Butanamide, N-(1-acetyl-2-oxopropyl)-) Related Products
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