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90142-19-1 | Quinolinium, 8-hydroxy-1-methyl-, chloride, monohydrate
CAS No: 90142-19-1 Catalog No: AG00H70Y MDL No:
Product Description
Catalog Number:
AG00H70Y
Chemical Name:
Quinolinium, 8-hydroxy-1-methyl-, chloride, monohydrate
CAS Number:
90142-19-1
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
IUPAC Name:
1-methylquinolin-1-ium-8-ol;chloride;hydrate
InChI:
InChI=1S/C10H9NO.ClH.H2O/c1-11-7-3-5-8-4-2-6-9(12)10(8)11;;/h2-7H,1H3;1H;1H2
InChI Key:
AIFNQWYTNWWMAW-UHFFFAOYSA-N
SMILES:
C[n+]1cccc2c1c(O)ccc2.O.[Cl-]
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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