4-Isoxazolecarboxylic acid, 5-phenyl-


Chemical Name: 4-Isoxazolecarboxylic acid, 5-phenyl-
CAS Number: 76344-95-1
Product Number: AG005DZ3(AGN-PC-002JVD)
Synonyms:
MDL No:
Molecular Formula: C10H7NO3
Molecular Weight: 189.1675

Identification/Properties


Properties
MP:
151-155°C(lit.);
Form:
Solid
Computed Properties
Molecular Weight:
189.17g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
189.043g/mol
Monoisotopic Mass:
189.043g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
213
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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