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Home Carboxys Ethyl 3-isopropyl-1H-pyrazole-5-carboxylate,

Ethyl 3-isopropyl-1H-pyrazole-5-carboxylate,

CAS No.:
78208-72-7
Catalog Number:
AG008NGH
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$58
- +
5g
98%
In Stock USA
United States
$172
- +
10g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$540
- +
Product Description
Catalog Number:
AG008NGH
Chemical Name:
Ethyl 3-isopropyl-1H-pyrazole-5-carboxylate,
CAS Number:
78208-72-7
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD08533270
IUPAC Name:
ethyl 5-propan-2-yl-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C9H14N2O2/c1-4-13-9(12)8-5-7(6(2)3)10-11-8/h5-6H,4H2,1-3H3,(H,10,11)
InChI Key:
ILTUMWMASHHTOQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]nc(c1)C(C)C
Properties
Complexity:
183  
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:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties