Ethanone, 1-(5-methyl-4-isoxazolyl)-


Chemical Name: Ethanone, 1-(5-methyl-4-isoxazolyl)-
CAS Number: 6497-21-8
Product Number: AG00EDQQ(AGN-PC-0CPV1Y)
Synonyms:
MDL No:
Molecular Formula: C6H7NO2
Molecular Weight: 125.1253

Identification/Properties


Properties
MP:
26-28 °C
BP:
220.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
125.127g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
125.048g/mol
Monoisotopic Mass:
125.048g/mol
Topological Polar Surface Area:
43.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
124
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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