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1404364-77-7 | 5-(o-tolyl)-1H-1,2,4-triazole-3-carboxylic acid
CAS No: 1404364-77-7 Catalog No: AG01FFTO MDL No:
Product Description
Catalog Number:
AG01FFTO
Chemical Name:
5-(o-tolyl)-1H-1,2,4-triazole-3-carboxylic acid
CAS Number:
1404364-77-7
IUPAC Name:
3-(2-methylphenyl)-1H-1,2,4-triazole-5-carboxylic acid
InChI:
InChI=1S/C10H9N3O2/c1-6-4-2-3-5-7(6)8-11-9(10(14)15)13-12-8/h2-5H,1H3,(H,14,15)(H,11,12,13)
InChI Key:
WYTNGFILDXOBDW-UHFFFAOYSA-N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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