Home Carboxys Ethyl 3-ethyl-1H-pyrazole-4-carboxylate

Ethyl 3-ethyl-1H-pyrazole-4-carboxylate

CAS No.:
73981-23-4
Catalog Number:
AG005V82
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
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Product Description
Catalog Number:
AG005V82
Chemical Name:
Ethyl 3-ethyl-1H-pyrazole-4-carboxylate
CAS Number:
73981-23-4
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD07367317
IUPAC Name:
ethyl 5-ethyl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C8H12N2O2/c1-3-7-6(5-9-10-7)8(11)12-4-2/h5H,3-4H2,1-2H3,(H,9,10)
InChI Key:
WHXXMZCNOHVIDX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]nc1CC
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:
1  
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties