1,2,5-Oxadiazole-3-carboxylic acid, 4-methyl-


Chemical Name: 1,2,5-Oxadiazole-3-carboxylic acid, 4-methyl-
CAS Number: 58677-34-2
Product Number: AG00EDVP(AGN-PC-0JOV4L)
Synonyms:
MDL No:
Molecular Formula: C4H4N2O3
Molecular Weight: 128.0862

Identification/Properties


Properties
MP:
69.8° - 71.6°C
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
128.087g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
128.022g/mol
Monoisotopic Mass:
128.022g/mol
Topological Polar Surface Area:
76.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
127
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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