Home Carboxys 1-Isopropyl-3-methyl-1h-pyrazole-4-carboxylic acid

1-Isopropyl-3-methyl-1h-pyrazole-4-carboxylic acid

CAS No.:
113100-42-8
Catalog Number:
AG008ZFR
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$341
- +
5g
97%
1 week
United States
$946
- +
10g
97%
1 week
United States
$1553
- +
25g
97%
1 week
United States
$3069
- +
Product Description
Catalog Number:
AG008ZFR
Chemical Name:
1-Isopropyl-3-methyl-1h-pyrazole-4-carboxylic acid
CAS Number:
113100-42-8
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD08700649
IUPAC Name:
3-methyl-1-propan-2-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C8H12N2O2/c1-5(2)10-4-7(8(11)12)6(3)9-10/h4-5H,1-3H3,(H,11,12)
InChI Key:
JOTOIXQDQQRWDI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(nc1C)C(C)C
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties