3-Isoxazolecarboxylic acid, 5-methyl-, ethyl ester


Chemical Name: 3-Isoxazolecarboxylic acid, 5-methyl-, ethyl ester
CAS Number: 3209-72-1
Product Number: AG0034VQ(AGN-PC-0CD1G2)
Synonyms:
MDL No:
Molecular Formula: C7H9NO3
Molecular Weight: 155.1513

Identification/Properties


Properties
MP:
25 °C
BP:
246.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
155.153g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
155.058g/mol
Monoisotopic Mass:
155.058g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
149
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
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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