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54957-90-3 | Quinoline Sulphate
CAS No: 54957-90-3 Catalog No: AG003U3L MDL No:
Product Description
Catalog Number:
AG003U3L
Chemical Name:
Quinoline Sulphate
CAS Number:
54957-90-3
Molecular Formula:
C9H9NO4S
Molecular Weight:
227.2371
IUPAC Name:
quinoline;sulfuric acid
InChI:
InChI=1S/C9H7N.H2O4S/c1-2-6-9-8(4-1)5-3-7-10-9;1-5(2,3)4/h1-7H;(H2,1,2,3,4)
InChI Key:
WSZKUEZEYFNPID-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nccc2.OS(=O)(=O)O
EC Number:
208-492-0
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.234g/mol
Monoisotopic Mass:
227.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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