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198878-42-1 | Quinoline, 1-oxide, hydrate
CAS No: 198878-42-1 Catalog No: AG00ADV5 MDL No:
Product Description
Catalog Number:
AG00ADV5
Chemical Name:
Quinoline, 1-oxide, hydrate
CAS Number:
198878-42-1
IUPAC Name:
1-oxidoquinolin-1-ium;hydrate
InChI:
InChI=1S/C9H7NO.H2O/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H;1H2
InChI Key:
CUSWDTBBCIXCRB-UHFFFAOYSA-N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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