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

CAS No.:
879996-71-1
Catalog Number:
AG004NY6
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
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:
AG004NY6
Chemical Name:
3-(3-Methoxyphenyl)-1h-pyrazole-4-carboxylic acid
CAS Number:
879996-71-1
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD09055304
IUPAC Name:
5-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H10N2O3/c1-16-8-4-2-3-7(5-8)10-9(11(14)15)6-12-13-10/h2-6H,1H3,(H,12,13)(H,14,15)
InChI Key:
VVUVPSNFYCNORL-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1n[nH]cc1C(=O)O
Properties
Complexity:
260  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties