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1187167-69-6 | 3-(4-Butoxybenzoyl)quinoline
CAS No: 1187167-69-6 Catalog No: AG01FF98 MDL No:
Product Description
Catalog Number:
AG01FF98
Chemical Name:
3-(4-Butoxybenzoyl)quinoline
CAS Number:
1187167-69-6
Molecular Formula:
C20H19NO2
Molecular Weight:
305.3704
IUPAC Name:
(4-butoxyphenyl)-quinolin-3-ylmethanone
InChI:
InChI=1S/C20H19NO2/c1-2-3-12-23-18-10-8-15(9-11-18)20(22)17-13-16-6-4-5-7-19(16)21-14-17/h4-11,13-14H,2-3,12H2,1H3
InChI Key:
OGGLIRWTBJLZSX-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)c1cnc2c(c1)cccc2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.142g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.377g/mol
Monoisotopic Mass:
305.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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