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211106-96-6 | 3-(4-Methoxybenzoyl)quinoline
CAS No: 211106-96-6 Catalog No: AG01FF7K MDL No:
Product Description
Catalog Number:
AG01FF7K
Chemical Name:
3-(4-Methoxybenzoyl)quinoline
CAS Number:
211106-96-6
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
(4-methoxyphenyl)-quinolin-3-ylmethanone
InChI:
InChI=1S/C17H13NO2/c1-20-15-8-6-12(7-9-15)17(19)14-10-13-4-2-3-5-16(13)18-11-14/h2-11H,1H3
InChI Key:
QLTFADVZQDRLIF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1cnc2c(c1)cccc2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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