Home Carboxys Ethyl 1,4-dimethyl-1h-pyrazole-5-carboxylate

Ethyl 1,4-dimethyl-1h-pyrazole-5-carboxylate

CAS No.:
68809-64-3
Catalog Number:
AG0061AD
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$705
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Product Description
Catalog Number:
AG0061AD
Chemical Name:
Ethyl 1,4-dimethyl-1h-pyrazole-5-carboxylate
CAS Number:
68809-64-3
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD22581286
IUPAC Name:
ethyl 2,4-dimethylpyrazole-3-carboxylate
InChI:
InChI=1S/C8H12N2O2/c1-4-12-8(11)7-6(2)5-9-10(7)3/h5H,4H2,1-3H3
InChI Key:
DXLLCQUNSCYBAB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)cnn1C
Properties
Complexity:
172  
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:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties