Home Carboxys 5-Methyl-1-M-tolyl-1H-pyrazole-4-carboxylic acid

5-Methyl-1-M-tolyl-1H-pyrazole-4-carboxylic acid

CAS No.:
1014039-19-0
Catalog Number:
AG00961G
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00961G
Chemical Name:
5-Methyl-1-M-tolyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1014039-19-0
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD09802193
IUPAC Name:
5-methyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c1-8-4-3-5-10(6-8)14-9(2)11(7-13-14)12(15)16/h3-7H,1-2H3,(H,15,16)
InChI Key:
AYSRSCFNOFICJX-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)n1ncc(c1C)C(=O)O
Properties
Complexity:
270  
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