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1186369-13-0 | Ethyl 5-(Pyridin-3-yl)thiophene-2-carboxylate
CAS No: 1186369-13-0 Catalog No: AG01FA8E MDL No:
Product Description
Catalog Number:
AG01FA8E
Chemical Name:
Ethyl 5-(Pyridin-3-yl)thiophene-2-carboxylate
CAS Number:
1186369-13-0
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
IUPAC Name:
ethyl 5-pyridin-3-ylthiophene-2-carboxylate
InChI:
InChI=1S/C12H11NO2S/c1-2-15-12(14)11-6-5-10(16-11)9-4-3-7-13-8-9/h3-8H,2H2,1H3
InChI Key:
KIGIGJYDMFVWTK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(s1)c1cccnc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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