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Home Carboxys Methyl 5-isopropyl-3-methyl-1H-pyrazole-4-carboxylate

Methyl 5-isopropyl-3-methyl-1H-pyrazole-4-carboxylate

CAS No.:
89270-13-3
Catalog Number:
AG0041C4
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$188
- +
5g
96%
In Stock USA
United States
$563
- +
10g
96%
In Stock USA
United States
$938
- +
25g
96%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG0041C4
Chemical Name:
Methyl 5-isopropyl-3-methyl-1H-pyrazole-4-carboxylate
CAS Number:
89270-13-3
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD28144317
IUPAC Name:
methyl 5-methyl-3-propan-2-yl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C9H14N2O2/c1-5(2)8-7(9(12)13-4)6(3)10-11-8/h5H,1-4H3,(H,10,11)
InChI Key:
RGWSCPIZOATVLA-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)n[nH]c1C(C)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:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties