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Home > Pyridines > 1187163-64-9
1187163-64-9 | Ethyl 5-(2-Methyl-5-pyridyl)-2-furoate
CAS No: 1187163-64-9 Catalog No: AG01FCJH MDL No:
Product Description
Catalog Number:
AG01FCJH
Chemical Name:
Ethyl 5-(2-Methyl-5-pyridyl)-2-furoate
CAS Number:
1187163-64-9
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
ethyl 5-(6-methylpyridin-3-yl)furan-2-carboxylate
InChI:
InChI=1S/C13H13NO3/c1-3-16-13(15)12-7-6-11(17-12)10-5-4-9(2)14-8-10/h4-8H,3H2,1-2H3
InChI Key:
XYNMXXSWKMMRTA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(o1)c1ccc(nc1)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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