1,2-Benzisoxazole-3-carboxylic acid


Chemical Name: 1,2-Benzisoxazole-3-carboxylic acid
CAS Number: 28691-47-6
Product Number: AG002W33(AGN-PC-0KK73T)
Synonyms:
MDL No:
Molecular Formula: C8H5NO3
Molecular Weight: 163.1302

Identification/Properties


Properties
MP:
145 - 148 °C
BP:
379.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
163.132g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
163.027g/mol
Monoisotopic Mass:
163.027g/mol
Topological Polar Surface Area:
63.3A^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


NMR Spectrum


Other Analytical Data


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