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76538-46-0 | 8-Quinolinemethanol, 1-oxide
CAS No: 76538-46-0 Catalog No: AG008PZX MDL No:
Product Description
Catalog Number:
AG008PZX
Chemical Name:
8-Quinolinemethanol, 1-oxide
CAS Number:
76538-46-0
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
(1-oxidoquinolin-1-ium-8-yl)methanol
InChI:
InChI=1S/C10H9NO2/c12-7-9-4-1-3-8-5-2-6-11(13)10(8)9/h1-6,12H,7H2
InChI Key:
RDFCPEDVPCGDCN-UHFFFAOYSA-N
SMILES:
OCc1cccc2c1[n+]([O-])ccc2
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:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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