Cas no 149795-07-3 (2-Pentanone,3-(nitromethylene)-, (3E)-)
149795-07-3 structure
Product Name:2-Pentanone,3-(nitromethylene)-, (3E)-
CAS No:149795-07-3
MF:C6H9NO3
MW:143.140561819077
CID:100078
PubChem ID:11768686
Update Time:2025-04-18
2-Pentanone,3-(nitromethylene)-, (3E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone,3-(nitromethylene)-, (3E)-
- 2-Pentanone, 3-(nitromethylene)-, (3E)- (9CI)
- 149795-07-3
- (3E)-3-(nitromethylidene)pentan-2-one
-
- Inchi： 1S/C6H9NO3/c1-3-6(5(2)8)4-7(9)10/h4H,3H2,1-2H3/b6-4+
- InChI Key： GROARPMNTCIURO-GQCTYLIASA-N
- SMILES： O=C(C)/C(=C/[N+](=O)[O-])/CC
Computed Properties
- Exact Mass: 143.05827
- Monoisotopic Mass: 143.058243149g/mol
- 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
- XLogP3: 0.8
- Topological Polar Surface Area: 62.9?2
Experimental Properties
- PSA: 60.21
2-Pentanone,3-(nitromethylene)-, (3E)- 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
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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