Home Carboxys ethyl 3-(furan-2-yl)-1-methyl-1H-pyrazole-4-carboxylate

ethyl 3-(furan-2-yl)-1-methyl-1H-pyrazole-4-carboxylate

CAS No.:
1245106-77-7
Catalog Number:
AG01BVGE
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
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Product Description
Catalog Number:
AG01BVGE
Chemical Name:
ethyl 3-(furan-2-yl)-1-methyl-1H-pyrazole-4-carboxylate
CAS Number:
1245106-77-7
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD17208092
IUPAC Name:
ethyl 3-(furan-2-yl)-1-methylpyrazole-4-carboxylate
InChI:
InChI=1S/C11H12N2O3/c1-3-15-11(14)8-7-13(2)12-10(8)9-5-4-6-16-9/h4-7H,3H2,1-2H3
InChI Key:
VCCQVYYUSSPRMY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(nc1c1ccco1)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:
0
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties