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80998-89-6 | Quinoline, 3-(2-phenylethyl)-
CAS No: 80998-89-6 Catalog No: AG0056ME MDL No:
Product Description
Catalog Number:
AG0056ME
Chemical Name:
Quinoline, 3-(2-phenylethyl)-
CAS Number:
80998-89-6
Molecular Formula:
C17H15N
Molecular Weight:
233.3077
IUPAC Name:
3-(2-phenylethyl)quinoline
InChI:
InChI=1S/C17H15N/c1-2-6-14(7-3-1)10-11-15-12-16-8-4-5-9-17(16)18-13-15/h1-9,12-13H,10-11H2
InChI Key:
ORHCROWAKYYRTQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCc1cnc2c(c1)cccc2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.314g/mol
Monoisotopic Mass:
233.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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