Cas no 14274-30-7 (Hexanenitrile, 4-oxo-)
Hexanenitrile, 4-oxo- structure
Product Name:Hexanenitrile, 4-oxo-
CAS No:14274-30-7
MF:C6H9NO
MW:111.141761541367
CID:180395
PubChem ID:9793723
Update Time:2025-04-19
Hexanenitrile, 4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Hexanenitrile, 4-oxo-
- CYANO-PENTANONE
- 2-oxohexanenitrile
- Cyanopentanone
- 3-AMINO-1-N-FMOC-PIPERIDINEHYDROCHLORIDE
- AKOS007929914
- 3-oxohexanenitrile
- 3-Oxo-hexanenitrile
- 1-cyanopentan-2-one
- 14274-30-7
- SCHEMBL81781
- 4388-92-5
- DTXSID30931616
- FKRWZYAOIGUMNA-UHFFFAOYSA-N
- EN300-84415
-
- Inchi： 1S/C6H9NO/c1-2-3-6(8)4-5-7/h2-4H2,1H3
- InChI Key： FKRWZYAOIGUMNA-UHFFFAOYSA-N
- SMILES： O=C(CC#N)CCC
Computed Properties
- Exact Mass: 111.068414
- Monoisotopic Mass: 111.068414
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 120
- 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
- Topological Polar Surface Area: 40.9
- XLogP3: 0.7
Experimental Properties
- Density: 0.941
- Boiling Point: 162.4°Cat760mmHg
- Flash Point: 52°C
- Refractive Index: 1.418
Hexanenitrile, 4-oxo- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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