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Ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate

CAS No.:
1036000-39-1
Catalog Number:
AG008USO
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
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Product Description
Catalog Number:
AG008USO
Chemical Name:
Ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate
CAS Number:
1036000-39-1
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD05264861
IUPAC Name:
ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C11H12N2O3/c1-3-15-11(14)9-6-8(12-13-9)10-5-4-7(2)16-10/h4-6H,3H2,1-2H3,(H,12,13)
InChI Key:
YFKITICHACVSCW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(c1)c1ccc(o1)C
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties