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114543-37-2 | Quinoline, 2-(3-phenylpropyl)-
CAS No: 114543-37-2 Catalog No: AG000ENI MDL No:
Product Description
Catalog Number:
AG000ENI
Chemical Name:
Quinoline, 2-(3-phenylpropyl)-
CAS Number:
114543-37-2
Molecular Formula:
C18H17N
Molecular Weight:
247.3343
IUPAC Name:
2-(3-phenylpropyl)quinoline
InChI:
InChI=1S/C18H17N/c1-2-7-15(8-3-1)9-6-11-17-14-13-16-10-4-5-12-18(16)19-17/h1-5,7-8,10,12-14H,6,9,11H2
InChI Key:
KUXBWCAUNUOLOY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCCc1ccc2c(n1)cccc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.341g/mol
Monoisotopic Mass:
247.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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