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651054-43-2 | Ethanone, 1-[3-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-
CAS No: 651054-43-2 Catalog No: AG006SJ0 MDL No:
Product Description
Catalog Number:
AG006SJ0
Chemical Name:
Ethanone, 1-[3-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-
CAS Number:
651054-43-2
Molecular Formula:
C19H17NO4
Molecular Weight:
323.3426
IUPAC Name:
1-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]ethanone
InChI:
InChI=1S/C19H17NO4/c1-12(21)13-5-4-6-14(9-13)24-17-7-8-20-16-11-19(23-3)18(22-2)10-15(16)17/h4-11H,1-3H3
InChI Key:
HDJHUVWQWGEDSN-UHFFFAOYSA-N
SMILES:
COc1cc2c(ccnc2cc1OC)Oc1cccc(c1)C(=O)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.348g/mol
Monoisotopic Mass:
323.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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