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10285-99-1 | Quinoline, 2-methoxy-, 1-oxide
CAS No: 10285-99-1 Catalog No: AG007J3X MDL No:
Product Description
Catalog Number:
AG007J3X
Chemical Name:
Quinoline, 2-methoxy-, 1-oxide
CAS Number:
10285-99-1
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
2-methoxy-1-oxidoquinolin-1-ium
InChI:
InChI=1S/C10H9NO2/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3
InChI Key:
ZDLFCJDUXFTNJS-UHFFFAOYSA-N
SMILES:
COc1ccc2c([n+]1[O-])cccc2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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