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857507-25-6 | Quinoline, 6-(phenylethynyl)-
CAS No: 857507-25-6 Catalog No: AG004S6M MDL No:
Product Description
Catalog Number:
AG004S6M
Chemical Name:
Quinoline, 6-(phenylethynyl)-
CAS Number:
857507-25-6
Molecular Formula:
C17H11N
Molecular Weight:
229.2759
IUPAC Name:
6-(2-phenylethynyl)quinoline
InChI:
InChI=1S/C17H11N/c1-2-5-14(6-3-1)8-9-15-10-11-17-16(13-15)7-4-12-18-17/h1-7,10-13H
InChI Key:
HQOYWWBUAARNLU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C#Cc1ccc2c(c1)cccn2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.282g/mol
Monoisotopic Mass:
229.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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