Home Carboxys 3-Isobutyl-1-methyl-1h-pyrazole-5-carboxylic acid

3-Isobutyl-1-methyl-1h-pyrazole-5-carboxylic acid

CAS No.:
769132-77-6
Catalog Number:
AG005RVJ
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
25g
95%
In Stock USA
United States
$1025
- +
Product Description
Catalog Number:
AG005RVJ
Chemical Name:
3-Isobutyl-1-methyl-1h-pyrazole-5-carboxylic acid
CAS Number:
769132-77-6
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD05670720
IUPAC Name:
2-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C9H14N2O2/c1-6(2)4-7-5-8(9(12)13)11(3)10-7/h5-6H,4H2,1-3H3,(H,12,13)
InChI Key:
FNZPEHCXMGHUNY-UHFFFAOYSA-N
SMILES:
CC(Cc1cc(n(n1)C)C(=O)O)C
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties