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1187169-95-4 | 3-(3,4-Dimethylbenzoyl)quinoline
CAS No: 1187169-95-4 Catalog No: AG01FEKW MDL No:
Product Description
Catalog Number:
AG01FEKW
Chemical Name:
3-(3,4-Dimethylbenzoyl)quinoline
CAS Number:
1187169-95-4
Molecular Formula:
C18H15NO
Molecular Weight:
261.3178
IUPAC Name:
(3,4-dimethylphenyl)-quinolin-3-ylmethanone
InChI:
InChI=1S/C18H15NO/c1-12-7-8-15(9-13(12)2)18(20)16-10-14-5-3-4-6-17(14)19-11-16/h3-11H,1-2H3
InChI Key:
UZUDGPHNIKWXHR-UHFFFAOYSA-N
SMILES:
O=C(c1cnc2c(c1)cccc2)c1ccc(c(c1)C)C
Properties
Complexity:
353
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:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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