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922520-02-3 | Quinoline, 7-methoxy-8-methyl-4-(phenylmethoxy)-, 1-oxide
CAS No: 922520-02-3 Catalog No: AG006DWP MDL No:
Product Description
Catalog Number:
AG006DWP
Chemical Name:
Quinoline, 7-methoxy-8-methyl-4-(phenylmethoxy)-, 1-oxide
CAS Number:
922520-02-3
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
7-methoxy-8-methyl-1-oxido-4-phenylmethoxyquinolin-1-ium
InChI:
InChI=1S/C18H17NO3/c1-13-16(21-2)9-8-15-17(10-11-19(20)18(13)15)22-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChI Key:
TWOFXACATQRASM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C)[n+]([O-])ccc2OCc1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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