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56421-85-3 | 3-(3-Thienyl)quinoline
CAS No: 56421-85-3 Catalog No: AG01EWGW MDL No:
Product Description
Catalog Number:
AG01EWGW
Chemical Name:
3-(3-Thienyl)quinoline
CAS Number:
56421-85-3
Molecular Formula:
C13H9NS
Molecular Weight:
211.2823
IUPAC Name:
3-thiophen-3-ylquinoline
InChI:
InChI=1S/C13H9NS/c1-2-4-13-10(3-1)7-12(8-14-13)11-5-6-15-9-11/h1-9H
InChI Key:
ZWOOWBWBVMAYGL-UHFFFAOYSA-N
SMILES:
c1scc(c1)c1cnc2c(c1)cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.282g/mol
Monoisotopic Mass:
211.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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