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

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

CAS No.:
113342-33-9
Catalog Number:
AG00J5ZE
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
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Product Description
Catalog Number:
AG00J5ZE
Chemical Name:
3-(2,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CAS Number:
113342-33-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD06740809
IUPAC Name:
3-(2,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c1-7-3-4-9(8(2)5-7)10-6-11(12(15)16)14-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChI Key:
XSEUPOAEAAAQGG-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)c1n[nH]c(c1)C(=O)O
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties