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3-(4-Methoxyphenyl)-1-phenyl-1h-pyrazole-4-carboxylic acid

CAS No.:
372107-36-3
Catalog Number:
AG00C61F
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00C61F
Chemical Name:
3-(4-Methoxyphenyl)-1-phenyl-1h-pyrazole-4-carboxylic acid
CAS Number:
372107-36-3
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
MDL Number:
MFCD02227818
IUPAC Name:
3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C17H14N2O3/c1-22-14-9-7-12(8-10-14)16-15(17(20)21)11-19(18-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)
InChI Key:
QOTMSXYEJBWVMB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nn(cc1C(=O)O)c1ccccc1
Properties
Complexity:
376  
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  
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