Home Carboxys 4-Methoxy-1-phenyl-1{H}-pyrazole-3-carboxylic acid

4-Methoxy-1-phenyl-1{H}-pyrazole-3-carboxylic acid

CAS No.:
956436-97-8
Catalog Number:
AG00IJAF
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
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Product Description
Catalog Number:
AG00IJAF
Chemical Name:
4-Methoxy-1-phenyl-1{H}-pyrazole-3-carboxylic acid
CAS Number:
956436-97-8
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD06655665
IUPAC Name:
4-methoxy-1-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H10N2O3/c1-16-9-7-13(12-10(9)11(14)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)
InChI Key:
PIHGVXDRIJINMH-UHFFFAOYSA-N
SMILES:
COc1cn(nc1C(=O)O)c1ccccc1
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties