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


Chemical Name: 3-methyl-1,2,4-oxadiazole-5-carboxylic acid
CAS Number: 944906-32-5
Product Number: AG00IIAC(AGN-PC-03CCHX)
Synonyms:
MDL No: MFCD10000816
Molecular Formula: C4H4N2O3
Molecular Weight: 128.0862

Identification/Properties


Computed Properties
Molecular Weight:
128.087g/mol
XLogP3:
0.4
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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