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144091-95-2 | Quinoline, 3-[4-(3-thienyl)-1,3-butadiyn-1-yl]-
CAS No: 144091-95-2 Catalog No: AG001IWG MDL No:
Product Description
Catalog Number:
AG001IWG
Chemical Name:
Quinoline, 3-[4-(3-thienyl)-1,3-butadiyn-1-yl]-
CAS Number:
144091-95-2
Molecular Formula:
C17H9NS
Molecular Weight:
259.3251
IUPAC Name:
3-(4-thiophen-3-ylbuta-1,3-diynyl)quinoline
InChI:
InChI=1S/C17H9NS/c1(5-14-9-10-19-13-14)2-6-15-11-16-7-3-4-8-17(16)18-12-15/h3-4,7-13H
InChI Key:
SPTJBKJGRKNBAU-UHFFFAOYSA-N
SMILES:
C(#Cc1cnc2c(c1)cccc2)C#Cc1cscc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.326g/mol
Monoisotopic Mass:
259.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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