Home Carboxys methyl 1,2,4-oxadiazole-3-carboxylate

methyl 1,2,4-oxadiazole-3-carboxylate

CAS No.:
89032-81-5
Catalog Number:
AG00J8RD
Molecular Formula:
C4H4N2O3
Molecular Weight:
128.0862
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Product Description
Catalog Number:
AG00J8RD
Chemical Name:
methyl 1,2,4-oxadiazole-3-carboxylate
CAS Number:
89032-81-5
Molecular Formula:
C4H4N2O3
Molecular Weight:
128.0862
MDL Number:
MFCD22628348
IUPAC Name:
methyl 1,2,4-oxadiazole-3-carboxylate
InChI:
InChI=1S/C4H4N2O3/c1-8-4(7)3-5-2-9-6-3/h2H,1H3
InChI Key:
IYVALCCOSBJXTB-UHFFFAOYSA-N
SMILES:
COC(=O)c1nocn1
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.022g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.087g/mol
Monoisotopic Mass:
128.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties