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1184711-21-4 | 3-(4-Ethylbenzoyl)quinoline
CAS No: 1184711-21-4 Catalog No: AG01FFD0 MDL No:
Product Description
Catalog Number:
AG01FFD0
Chemical Name:
3-(4-Ethylbenzoyl)quinoline
CAS Number:
1184711-21-4
Molecular Formula:
C18H15NO
Molecular Weight:
261.3178
IUPAC Name:
(4-ethylphenyl)-quinolin-3-ylmethanone
InChI:
InChI=1S/C18H15NO/c1-2-13-7-9-14(10-8-13)18(20)16-11-15-5-3-4-6-17(15)19-12-16/h3-12H,2H2,1H3
InChI Key:
AVOGKHYDEZFGDV-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(=O)c1cnc2c(c1)cccc2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.324g/mol
Monoisotopic Mass:
261.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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