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1182441-50-4 | 3-(4-Methylbenzoyl)quinoline
CAS No: 1182441-50-4 Catalog No: AG01FF8Y MDL No:
Product Description
Catalog Number:
AG01FF8Y
Chemical Name:
3-(4-Methylbenzoyl)quinoline
CAS Number:
1182441-50-4
Molecular Formula:
C17H13NO
Molecular Weight:
247.2912
IUPAC Name:
(4-methylphenyl)-quinolin-3-ylmethanone
InChI:
InChI=1S/C17H13NO/c1-12-6-8-13(9-7-12)17(19)15-10-14-4-2-3-5-16(14)18-11-15/h2-11H,1H3
InChI Key:
KIBYDRIXYKHJSI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)c1cnc2c(c1)cccc2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.297g/mol
Monoisotopic Mass:
247.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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