5-Isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-, methyl ester


Chemical Name: 5-Isoxazolecarboxylic acid, 2,3-dihydro-3-oxo-, methyl ester
CAS Number: 10068-07-2
Product Number: AG0002MG(AGN-PC-0KK0CN)
Synonyms:
MDL No:
Molecular Formula: C5H5NO4
Molecular Weight: 143.0975

Identification/Properties


Properties
MP:
167 - 168 °C
BP:
261.15°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5820 (estimate)
Computed Properties
Molecular Weight:
143.098g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
143.022g/mol
Monoisotopic Mass:
143.022g/mol
Topological Polar Surface Area:
64.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
208
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:
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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