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


Chemical Name: 1H-1,2,3-Triazole-4-carboxylic acid, 1-methyl-, ethyl ester
CAS Number: 39039-48-0
Product Number: AG0076LL(AGN-PC-037YN5)
Synonyms:
MDL No:
Molecular Formula: C6H9N3O2
Molecular Weight: 155.1546

Identification/Properties


Computed Properties
Molecular Weight:
155.157g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
155.069g/mol
Monoisotopic Mass:
155.069g/mol
Topological Polar Surface Area:
57A^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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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