2,3-Butanedione, monooxime


Chemical Name: 2,3-Butanedione, monooxime
CAS Number: 57-71-6
Product Number: AG00IA67(AGN-PC-0LT1A6)
Synonyms:
MDL No:
Molecular Formula: C4H7NO2
Molecular Weight: 101.1039

Identification/Properties


Computed Properties
Molecular Weight:
101.105g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
101.048g/mol
Monoisotopic Mass:
101.048g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
106
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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