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123172-87-2 | Quinoline, 8-(2-phenylethynyl)-
CAS No: 123172-87-2 Catalog No: AG000K3P MDL No:
Product Description
Catalog Number:
AG000K3P
Chemical Name:
Quinoline, 8-(2-phenylethynyl)-
CAS Number:
123172-87-2
Molecular Formula:
C17H11N
Molecular Weight:
229.2759
IUPAC Name:
8-(2-phenylethynyl)quinoline
InChI:
InChI=1S/C17H11N/c1-2-6-14(7-3-1)11-12-16-9-4-8-15-10-5-13-18-17(15)16/h1-10,13H
InChI Key:
RLGSOEVROKVJGY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C#Cc1cccc2c1nccc2
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:
4.3
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