(3,5-Dimethyl-[1,2,4]triazol-1-yl)-acetic acid


Chemical Name: (3,5-Dimethyl-[1,2,4]triazol-1-yl)-acetic acid
CAS Number: 684249-99-8
Product Number: AG006KA7(AGN-PC-0LU5E0)
Synonyms:
MDL No:
Molecular Formula: C6H9N3O2
Molecular Weight: 155.1546

Identification/Properties


Properties
BP:
400.4°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
155.157g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
155.069g/mol
Monoisotopic Mass:
155.069g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
162
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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