Home Carboxys Ethyl 1-Ethylpyrazole-4-carboxylate

Ethyl 1-Ethylpyrazole-4-carboxylate

CAS No.:
447401-91-4
Catalog Number:
AG003Q0Q
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
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Product Description
Catalog Number:
AG003Q0Q
Chemical Name:
Ethyl 1-Ethylpyrazole-4-carboxylate
CAS Number:
447401-91-4
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD16620009
IUPAC Name:
ethyl 1-ethylpyrazole-4-carboxylate
InChI:
InChI=1S/C8H12N2O2/c1-3-10-6-7(5-9-10)8(11)12-4-2/h5-6H,3-4H2,1-2H3
InChI Key:
XDGRKQJBBYAGQA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1)CC
Properties
Complexity:
161  
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:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties