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Home > Nitro Compounds > 70856-06-3
70856-06-3 | 2-Pentanone, 3-nitro- (6CI,7CI,9CI)
CAS No: 70856-06-3 Catalog No: AG00FUEU MDL No:
Product Description
Catalog Number:
AG00FUEU
Chemical Name:
2-Pentanone, 3-nitro- (6CI,7CI,9CI)
CAS Number:
70856-06-3
IUPAC Name:
3-nitropentan-2-one
InChI:
InChI=1S/C5H9NO3/c1-3-5(4(2)7)6(8)9/h5H,3H2,1-2H3
InChI Key:
MNUXBOINOHRRST-UHFFFAOYSA-N
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.131g/mol
Monoisotopic Mass:
131.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Enantiomerization study of some alpha-nitroketones by dynamic high-resolution gas chromatography. | The Journal of organic chemistry 20030418 |
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