Cas no 149795-08-4 (2-Pentanone,3-(nitromethylene)-, (Z)- (9CI))
149795-08-4 structure
Product Name:2-Pentanone,3-(nitromethylene)-, (Z)- (9CI)
CAS No:149795-08-4
MF:C6H9NO3
MW:143.140561819077
CID:100077
Update Time:2024-01-24
2-Pentanone,3-(nitromethylene)-, (Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone,3-(nitromethylene)-, (Z)- (9CI)
- 2-Pentanone, 3-(nitromethylene)-, (Z)- (9CI)
- (3Z)-3-(nitromethylidene)pentan-2-one
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- Inchi： 1S/C6H9NO3/c1-3-6(5(2)8)4-7(9)10/h4H,3H2,1-2H3/b6-4-
- InChI Key： GROARPMNTCIURO-XQRVVYSFSA-N
- SMILES： CC(=O)/C(=C\[N+]([O-])=O)/CC
Computed Properties
- Exact Mass: 143.05827
- Monoisotopic Mass: 143.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 178
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 62.9A^2
Experimental Properties
- PSA: 60.21
2-Pentanone,3-(nitromethylene)-, (Z)- (9CI) Related Literature
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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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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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