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Methyl 3-(tert-butyl)-1h-pyrazole-4-carboxylate

CAS No.:
1017782-45-4
Catalog Number:
AG0005JM
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$82
- +
1g
97%
In Stock USA
United States
$113
- +
5g
97%
In Stock USA
United States
$469
- +
10g
97%
In Stock USA
United States
$750
- +
25g
97%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG0005JM
Chemical Name:
Methyl 3-(tert-butyl)-1h-pyrazole-4-carboxylate
CAS Number:
1017782-45-4
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD00829900
IUPAC Name:
methyl 5-tert-butyl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C9H14N2O2/c1-9(2,3)7-6(5-10-11-7)8(12)13-4/h5H,1-4H3,(H,10,11)
InChI Key:
RBCJMGWABQNGAM-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]nc1C(C)(C)C
Properties
Complexity:
198  
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:
1.8  
Properties