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Home Carboxys 2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid

2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid

CAS No.:
851175-96-7
Catalog Number:
AG00IDJO
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
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Product Description
Catalog Number:
AG00IDJO
Chemical Name:
2-(2,4-dimethylphenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid
CAS Number:
851175-96-7
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD06373471
IUPAC Name:
2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylic acid
InChI:
InChI=1S/C12H13N3O2/c1-7-4-5-10(8(2)6-7)15-13-9(3)11(14-15)12(16)17/h4-6H,1-3H3,(H,16,17)
InChI Key:
GLJDLAQFRVFTBM-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)n1nc(c(n1)C)C(=O)O
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties