Home Carboxys 3-(2-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

3-(2-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

CAS No.:
956625-04-0
Catalog Number:
AG00IJBJ
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
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Product Description
Catalog Number:
AG00IJBJ
Chemical Name:
3-(2-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CAS Number:
956625-04-0
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
MDL Number:
MFCD06357392
IUPAC Name:
3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C17H14N2O3/c1-22-15-10-6-5-9-13(15)16-14(17(20)21)11-19(18-16)12-7-3-2-4-8-12/h2-11H,1H3,(H,20,21)
InChI Key:
RTEVZNAZCXZANB-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1nn(cc1C(=O)O)c1ccccc1
Properties
Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties