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Home Carboxys 3,5-Dimethyl-1-phenyl-1h-pyrazole-4-carboxylic acid

3,5-Dimethyl-1-phenyl-1h-pyrazole-4-carboxylic acid

CAS No.:
61226-19-5
Catalog Number:
AG00EFGW
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$62
- +
1g
95%
In Stock USA
United States
$157
- +
5g
95%
In Stock USA
United States
$475
- +
10g
95%
In Stock USA
United States
$744
- +
Product Description
Catalog Number:
AG00EFGW
Chemical Name:
3,5-Dimethyl-1-phenyl-1h-pyrazole-4-carboxylic acid
CAS Number:
61226-19-5
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD02656670
IUPAC Name:
3,5-dimethyl-1-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c1-8-11(12(15)16)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16)
InChI Key:
LPYTYYLNGJGJGW-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)nn(c1C)c1ccccc1
Properties
Complexity:
264  
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:
2.4  
Properties