5-Isoxazoleacetic acid, a-amino-2,3-dihydro-3-oxo-


Chemical Name: 5-Isoxazoleacetic acid, a-amino-2,3-dihydro-3-oxo-
CAS Number: 2552-55-8
Product Number: AG003BE7(AGN-PC-0R1BOW)
Synonyms:
MDL No:
Molecular Formula: C5H6N2O4
Molecular Weight: 158.1121

Identification/Properties


Properties
MP:
141-147 °C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Solubility:
H2O: soluble1mg/mL, clear, colorless (with sonication)
Computed Properties
Molecular Weight:
158.113g/mol
XLogP3:
-3.9
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
158.033g/mol
Monoisotopic Mass:
158.033g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
235
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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