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1187170-86-0 | 3-(4-Pentyloxybenzoyl)quinoline
CAS No: 1187170-86-0 Catalog No: AG01FETP MDL No:
Product Description
Catalog Number:
AG01FETP
Chemical Name:
3-(4-Pentyloxybenzoyl)quinoline
CAS Number:
1187170-86-0
Molecular Formula:
C21H21NO2
Molecular Weight:
319.3969
IUPAC Name:
(4-pentoxyphenyl)-quinolin-3-ylmethanone
InChI:
InChI=1S/C21H21NO2/c1-2-3-6-13-24-19-11-9-16(10-12-19)21(23)18-14-17-7-4-5-8-20(17)22-15-18/h4-5,7-12,14-15H,2-3,6,13H2,1H3
InChI Key:
VGTBZJHBGQYLHK-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)C(=O)c1cnc2c(c1)cccc2
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.157g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.404g/mol
Monoisotopic Mass:
319.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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