Cas no 583887-50-7 (Pentanenitrile, 2-acetyl-2-methyl-4-oxo-)
583887-50-7 structure
Product Name:Pentanenitrile, 2-acetyl-2-methyl-4-oxo-
CAS No:583887-50-7
MF:C8H11NO2
MW:153.178442239761
CID:342240
PubChem ID:71443627
Update Time:2025-04-19
Pentanenitrile, 2-acetyl-2-methyl-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Pentanenitrile, 2-acetyl-2-methyl-4-oxo-
- 2-acetyl-2-methyl-4-oxopentanenitrile
- DTXSID20852442
- 583887-50-7
-
- Inchi： 1S/C8H11NO2/c1-6(10)4-8(3,5-9)7(2)11/h4H2,1-3H3
- InChI Key： FZYHPTDHKMSVQM-UHFFFAOYSA-N
- SMILES： O=C(C)C(C#N)(C)CC(C)=O
Computed Properties
- Exact Mass: 153.07903
- Monoisotopic Mass: 153.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 236
- 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: -0.1
- Topological Polar Surface Area: 57.9?2
Experimental Properties
- PSA: 57.93
Pentanenitrile, 2-acetyl-2-methyl-4-oxo- 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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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
583887-50-7 (Pentanenitrile, 2-acetyl-2-methyl-4-oxo-) Related Products
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