Home Carboxys 5-Methyl-1-(4-methylphenyl)-1h-pyrazole-4-carboxylic acid

5-Methyl-1-(4-methylphenyl)-1h-pyrazole-4-carboxylic acid

CAS No.:
288251-47-8
Catalog Number:
AG00BJ8P
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 99% (HPLC)
1 week
United States
$155
- +
1g
≥ 99% (HPLC)
1 week
United States
$272
- +
Product Description
Catalog Number:
AG00BJ8P
Chemical Name:
5-Methyl-1-(4-methylphenyl)-1h-pyrazole-4-carboxylic acid
CAS Number:
288251-47-8
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD04122757
IUPAC Name:
5-methyl-1-(4-methylphenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c1-8-3-5-10(6-4-8)14-9(2)11(7-13-14)12(15)16/h3-7H,1-2H3,(H,15,16)
InChI Key:
YLLKMSOYYAPTFG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1ncc(c1C)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:
2.2  
Properties