2(3H)-Benzoxazolone, 6-methoxy-


Chemical Name: 2(3H)-Benzoxazolone, 6-methoxy-
CAS Number: 532-91-2
Product Number: AG003N9S(AGN-PC-0JK9P3)
Synonyms:
MDL No:
Molecular Formula: C8H7NO3
Molecular Weight: 165.1461

Identification/Properties


Properties
MP:
151-156°C(lit.);
BP:
292.97°C (rough estimate)
Form:
Solid
Refractive Index:
1.5468 (estimate)
Computed Properties
Molecular Weight:
165.148g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
165.043g/mol
Monoisotopic Mass:
165.043g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
195
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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