Cas no 10413-01-1 (Hexanenitrile,4-methyl-5-oxo-)
Hexanenitrile,4-methyl-5-oxo- structure
Product Name:Hexanenitrile,4-methyl-5-oxo-
CAS No:10413-01-1
MF:C7H11NO
MW:125.168341875076
CID:118594
PubChem ID:11564477
Update Time:2025-04-18
Hexanenitrile,4-methyl-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Hexanenitrile,4-methyl-5-oxo-
- 4-Methyl-5-oxohexanenitrile
- 3-(2-Cyanoethyl)-2-butanone
- 3-acetylvaleronitrile
- 3-methyl-5-cyano-pentan-2-one
- 4-methyl-5-ketocapronitrile
- 4-Methyl-5-oxocapronitrile
- 4-methyl-5-oxo-hexanenitrile
- 4-Methyl-5-oxo-hexannitril
- 4-Methyl-5-oxohexanonitrile
- Hexanenitrile,4-methyl-5-oxo
- AKOS006272151
- DTXSID90468635
- 10413-01-1
- MFCD00128175
- SCHEMBL7952075
-
- MDL： MFCD00128175
- Inchi： 1S/C7H11NO/c1-6(7(2)9)4-3-5-8/h6H,3-4H2,1-2H3
- InChI Key： NWVJJSXURDQKFU-UHFFFAOYSA-N
- SMILES： O=C(C)C(C)CCC#N
Computed Properties
- Exact Mass: 125.08400
- Monoisotopic Mass: 125.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 142
- 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
- XLogP3: 0.5
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86000
- LogP: 1.51528
Hexanenitrile,4-methyl-5-oxo- Related Literature
-
Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
10413-01-1 (Hexanenitrile,4-methyl-5-oxo-) Related Products
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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