1,2,5-Oxadiazole-3-carboxaldehyde, 4-methyl-


Chemical Name: 1,2,5-Oxadiazole-3-carboxaldehyde, 4-methyl-
CAS Number: 90507-35-0
Product Number: AG00IG5Z(AGN-PC-003FUT)
Synonyms:
MDL No:
Molecular Formula: C4H4N2O2
Molecular Weight: 112.0868

Identification/Properties


Computed Properties
Molecular Weight:
112.088g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
112.027g/mol
Monoisotopic Mass:
112.027g/mol
Topological Polar Surface Area:
56A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
96
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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