1H-1,2,3-Triazole-4-carboxylic acid, ethyl ester


Chemical Name: 1H-1,2,3-Triazole-4-carboxylic acid, ethyl ester
CAS Number: 40594-98-7
Product Number: AG0038R7(AGN-PC-0OA5S0)
Synonyms:
MDL No:
Molecular Formula: C5H7N3O2
Molecular Weight: 141.1280

Identification/Properties


Computed Properties
Molecular Weight:
141.13g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
141.054g/mol
Monoisotopic Mass:
141.054g/mol
Topological Polar Surface Area:
67.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
128
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

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NMR Spectrum


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