4H-3,1-Benzoxazin-4-one, 2-methyl-


Chemical Name: 4H-3,1-Benzoxazin-4-one, 2-methyl-
CAS Number: 525-76-8
Product Number: AG00DEL0(AGN-PC-069DN9)
Synonyms:
MDL No:
Molecular Formula: C9H7NO2
Molecular Weight: 161.1574

Identification/Properties


Properties
MP:
79-82 °C(lit.)
BP:
283.5 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
161.16g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
161.048g/mol
Monoisotopic Mass:
161.048g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
235
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


NMR Spectrum


Other Analytical Data


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