3-Isoxazolecarboxylicacid, 5-(1-methylethyl)-


Chemical Name: 3-Isoxazolecarboxylicacid, 5-(1-methylethyl)-
CAS Number: 89776-74-9
Product Number: AG0040IA(AGN-PC-0LU51S)
Synonyms:
MDL No:
Molecular Formula: C7H9NO3
Molecular Weight: 155.1513

Identification/Properties


Properties
MP:
69-73 °C
BP:
298.2 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
155.153g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
155.058g/mol
Monoisotopic Mass:
155.058g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
158
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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