2,1-Benzisoxazole-5-carboxylic acid, 3-phenyl-


Chemical Name: 2,1-Benzisoxazole-5-carboxylic acid, 3-phenyl-
CAS Number: 39695-71-1
Product Number: AG00C8YS(AGN-PC-0JU8UK)
Synonyms:
MDL No:
Molecular Formula: C14H9NO3
Molecular Weight: 239.2262

Identification/Properties


Computed Properties
Molecular Weight:
239.23g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
239.058g/mol
Monoisotopic Mass:
239.058g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
314
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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