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1149352-55-5 | Benzoic acid, 5-methyl-2-(1H-1,2,3-triazol-1-yl)-
CAS No: 1149352-55-5 Catalog No: AG000FG9 MDL No:MFCD22124907
Product Description
Catalog Number:
AG000FG9
Chemical Name:
Benzoic acid, 5-methyl-2-(1H-1,2,3-triazol-1-yl)-
CAS Number:
1149352-55-5
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD22124907
IUPAC Name:
5-methyl-2-(triazol-1-yl)benzoic acid
InChI:
InChI=1S/C10H9N3O2/c1-7-2-3-9(8(6-7)10(14)15)13-5-4-11-12-13/h2-6H,1H3,(H,14,15)
InChI Key:
HWTWJXWEWOBHPS-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)O)n1nncc1
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:
1
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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