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1-(4-Methoxyphenyl)-3-methyl-1h-pyrazole-5-carboxylic acid

CAS No.:
218631-44-8
Catalog Number:
AG006YZZ
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 98% (HPLC)
1 week
United States
$111
- +
250mg
≥ 98% (HPLC)
1 week
United States
$177
- +
1g
≥ 98% (HPLC)
1 week
United States
$491
- +
Product Description
Catalog Number:
AG006YZZ
Chemical Name:
1-(4-Methoxyphenyl)-3-methyl-1h-pyrazole-5-carboxylic acid
CAS Number:
218631-44-8
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD05150587
IUPAC Name:
2-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C12H12N2O3/c1-8-7-11(12(15)16)14(13-8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H,15,16)
InChI Key:
KGDRXQSJRQQXCK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1nc(cc1C(=O)O)C
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties