1H-1,2,3-Triazole-5-carboxaldehyde, 1-methyl-


Chemical Name: 1H-1,2,3-Triazole-5-carboxaldehyde, 1-methyl-
CAS Number: 202931-88-2
Product Number: AG0028KC(AGN-PC-037ALG)
Synonyms:
MDL No:
Molecular Formula: C4H5N3O
Molecular Weight: 111.1020

Identification/Properties


Computed Properties
Molecular Weight:
111.104g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
111.043g/mol
Monoisotopic Mass:
111.043g/mol
Topological Polar Surface Area:
47.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
95.3
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


Other Analytical Data


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