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Home Carboxys 1-Isopropyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

1-Isopropyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

CAS No.:
1007542-01-9
Catalog Number:
AG0002TJ
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG0002TJ
Chemical Name:
1-Isopropyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1007542-01-9
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD06260701
IUPAC Name:
3,5-dimethyl-1-propan-2-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C9H14N2O2/c1-5(2)11-7(4)8(9(12)13)6(3)10-11/h5H,1-4H3,(H,12,13)
InChI Key:
YLPYLNUXWGDQAG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)nn(c1C)C(C)C
Properties
Complexity:
206  
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:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties