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21298-55-5 | 2-(Thiophen-3-yl)pyridine
CAS No: 21298-55-5 Catalog No: AG003I1I MDL No:MFCD00006214
Product Description
Catalog Number:
AG003I1I
Chemical Name:
2-(Thiophen-3-yl)pyridine
CAS Number:
21298-55-5
Molecular Formula:
C9H7NS
Molecular Weight:
161.2236
MDL Number:
MFCD00006214
IUPAC Name:
2-thiophen-3-ylpyridine
InChI:
InChI=1S/C9H7NS/c1-2-5-10-9(3-1)8-4-6-11-7-8/h1-7H
InChI Key:
MINKMXOCFYGGKA-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)c1cscc1
EC Number:
244-322-1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.222g/mol
Monoisotopic Mass:
161.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Natural abundance nitrogen-15 nuclear magnetic resonance spectral studies on selected donors. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20021001 |
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