Home Carboxys ethyl 5-ethyl-1-methyl-1H-pyrazole-4-carboxylate

ethyl 5-ethyl-1-methyl-1H-pyrazole-4-carboxylate

CAS No.:
116344-24-2
Catalog Number:
AG01EK3N
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
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Product Description
Catalog Number:
AG01EK3N
Chemical Name:
ethyl 5-ethyl-1-methyl-1H-pyrazole-4-carboxylate
CAS Number:
116344-24-2
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD18264208
IUPAC Name:
ethyl 5-ethyl-1-methylpyrazole-4-carboxylate
InChI:
InChI=1S/C9H14N2O2/c1-4-8-7(6-10-11(8)3)9(12)13-5-2/h6H,4-5H2,1-3H3
InChI Key:
BOPLBCKURJDPFH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1CC)C
Properties
Complexity:
185  
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:
0
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties