Home Carboxys 1-Methyl-5-(p-tolyl)-1H-pyrazole-3-carboxylic acid

1-Methyl-5-(p-tolyl)-1H-pyrazole-3-carboxylic acid

CAS No.:
124344-99-6
Catalog Number:
AG000LWS
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$191
- +
1g
1 week
United States
$489
- +
Product Description
Catalog Number:
AG000LWS
Chemical Name:
1-Methyl-5-(p-tolyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
124344-99-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD08446140
IUPAC Name:
1-methyl-5-(4-methylphenyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c1-8-3-5-9(6-4-8)11-7-10(12(15)16)13-14(11)2/h3-7H,1-2H3,(H,15,16)
InChI Key:
YEUAPBXLRBVFJX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc(nn1C)C(=O)O
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties