1H-1,2,4-Triazole-3-acetic acid, 5-methyl-, ethyl ester


Chemical Name: 1H-1,2,4-Triazole-3-acetic acid, 5-methyl-, ethyl ester
CAS Number: 100187-10-8
Product Number: AG000160(AGN-PC-0M38OX)
Synonyms:
MDL No:
Molecular Formula: C7H11N3O2
Molecular Weight: 169.1811

Identification/Properties


Computed Properties
Molecular Weight:
169.184g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
169.085g/mol
Monoisotopic Mass:
169.085g/mol
Topological Polar Surface Area:
67.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
163
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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