(5-METHYL-2H-[1,2,4]TRIAZOL-3-YL)-ACETIC ACID


Chemical Name: (5-METHYL-2H-[1,2,4]TRIAZOL-3-YL)-ACETIC ACID
CAS Number: 720706-28-5
Product Number: AG005DAO(AGN-PC-0WA29W)
Synonyms:
MDL No:
Molecular Formula: C5H7N3O2
Molecular Weight: 141.1280

Identification/Properties


Properties
BP:
442.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
141.13g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
141.054g/mol
Monoisotopic Mass:
141.054g/mol
Topological Polar Surface Area:
78.9A^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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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