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207386-91-2 | 8-Quinolinol, sulfate, hydrate (2:1:1)
CAS No: 207386-91-2 Catalog No: AG002J19 MDL No:MFCD00149610
Product Description
Catalog Number:
AG002J19
Chemical Name:
8-Quinolinol, sulfate, hydrate (2:1:1)
CAS Number:
207386-91-2
Molecular Formula:
C18H18N2O7S
Molecular Weight:
406.4097
MDL Number:
MFCD00149610
IUPAC Name:
quinolin-8-ol;sulfuric acid;hydrate
InChI:
InChI=1S/2C9H7NO.H2O4S.H2O/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4;/h2*1-6,11H;(H2,1,2,3,4);1H2
InChI Key:
BNCXJZDIJIVJJO-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2.O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.083g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
406.409g/mol
Monoisotopic Mass:
406.083g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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