methyl 2-(3-amino-1H-1,2,4-triazol-1-yl)acetate


Chemical Name: methyl 2-(3-amino-1H-1,2,4-triazol-1-yl)acetate
CAS Number: 959054-36-5
Product Number: AG019SD1(AGN-PC-0WO5T4)
Synonyms:
MDL No: MFCD12804847
Molecular Formula: C5H8N4O2
Molecular Weight: 156.1426

Identification/Properties


Computed Properties
Molecular Weight:
156.145g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
156.065g/mol
Monoisotopic Mass:
156.065g/mol
Topological Polar Surface Area:
83A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
151
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


NMR Spectrum


Other Analytical Data


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