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22920-77-0 | 2-Butanone, 1-nitro-
CAS No: 22920-77-0 Catalog No: AG002LIN MDL No:MFCD00457352
Product Description
Catalog Number:
AG002LIN
Chemical Name:
2-Butanone, 1-nitro-
CAS Number:
22920-77-0
Molecular Formula:
C4H7NO3
Molecular Weight:
117.1033
MDL Number:
MFCD00457352
IUPAC Name:
1-nitrobutan-2-one
InChI:
InChI=1S/C4H7NO3/c1-2-4(6)3-5(7)8/h2-3H2,1H3
InChI Key:
OYLKGUAPHUZBTD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(=O)CC
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.104g/mol
Monoisotopic Mass:
117.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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