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1187163-59-2 | Ethyl 5-(4-Methylpyridin-3-yl)thiophene-2-carboxylate
CAS No: 1187163-59-2 Catalog No: AG01F86E MDL No:
Product Description
Catalog Number:
AG01F86E
Chemical Name:
Ethyl 5-(4-Methylpyridin-3-yl)thiophene-2-carboxylate
CAS Number:
1187163-59-2
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
IUPAC Name:
ethyl 5-(4-methylpyridin-3-yl)thiophene-2-carboxylate
InChI:
InChI=1S/C13H13NO2S/c1-3-16-13(15)12-5-4-11(17-12)10-8-14-7-6-9(10)2/h4-8H,3H2,1-2H3
InChI Key:
VDPRISGPCFFLCO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(s1)c1cnccc1C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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