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1187167-31-2 | 3-(4-Butylbenzoyl)quinoline
CAS No: 1187167-31-2 Catalog No: AG01FFD3 MDL No:
Product Description
Catalog Number:
AG01FFD3
Chemical Name:
3-(4-Butylbenzoyl)quinoline
CAS Number:
1187167-31-2
Molecular Formula:
C20H19NO
Molecular Weight:
289.3710
IUPAC Name:
(4-butylphenyl)-quinolin-3-ylmethanone
InChI:
InChI=1S/C20H19NO/c1-2-3-6-15-9-11-16(12-10-15)20(22)18-13-17-7-4-5-8-19(17)21-14-18/h4-5,7-14H,2-3,6H2,1H3
InChI Key:
DMNJCCUIJOKXKW-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=O)c1cnc2c(c1)cccc2
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.378g/mol
Monoisotopic Mass:
289.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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