5-methyl-2-(triazol-2-yl)benzoic acid


Chemical Name: 5-methyl-2-(triazol-2-yl)benzoic acid
CAS Number: 956317-36-5
Product Number: AG00IJ9P(AGN-PC-09OWEQ)
Synonyms:
MDL No:
Molecular Formula: C10H9N3O2
Molecular Weight: 203.1974

Identification/Properties


Computed Properties
Molecular Weight:
203.201g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
203.069g/mol
Monoisotopic Mass:
203.069g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
241
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


NMR Spectrum


Other Analytical Data


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