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


Chemical Name: 2H-1,2,3-Triazole-4-carboxylic acid, 2-methyl-, methyl ester
CAS Number: 105020-39-1
Product Number: AG003ROK(AGN-PC-00NPO6)
Synonyms:
MDL No: MFCD16495898
Molecular Formula: C5H7N3O2
Molecular Weight: 141.1280

Identification/Properties


Properties
BP:
246.1±32.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
141.13g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
141.054g/mol
Monoisotopic Mass:
141.054g/mol
Topological Polar Surface Area:
57A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
139
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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