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1187167-35-6 | 3-(4-Pentylbenzoyl)quinoline
CAS No: 1187167-35-6 Catalog No: AG01FF96 MDL No:
Product Description
Catalog Number:
AG01FF96
Chemical Name:
3-(4-Pentylbenzoyl)quinoline
CAS Number:
1187167-35-6
Molecular Formula:
C21H21NO
Molecular Weight:
303.3975
IUPAC Name:
(4-pentylphenyl)-quinolin-3-ylmethanone
InChI:
InChI=1S/C21H21NO/c1-2-3-4-7-16-10-12-17(13-11-16)21(23)19-14-18-8-5-6-9-20(18)22-15-19/h5-6,8-15H,2-4,7H2,1H3
InChI Key:
DYENLZGDROIJMA-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)c1cnc2c(c1)cccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.162g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.405g/mol
Monoisotopic Mass:
303.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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