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80789-76-0 | Sodium 8-ethoxyquinoline-5-sulfonate hydrate
CAS No: 80789-76-0 Catalog No: AG003NI8 MDL No:
Product Description
Catalog Number:
AG003NI8
Chemical Name:
Sodium 8-ethoxyquinoline-5-sulfonate hydrate
CAS Number:
80789-76-0
Molecular Formula:
C11H12NNaO5S
Molecular Weight:
293.2714
IUPAC Name:
sodium;8-ethoxyquinoline-5-sulfonate;hydrate
InChI:
InChI=1S/C11H11NO4S.Na.H2O/c1-2-16-9-5-6-10(17(13,14)15)8-4-3-7-12-11(8)9;;/h3-7H,2H2,1H3,(H,13,14,15);;1H2/q;+1;/p-1
InChI Key:
BSVDXMZRSQZXAH-UHFFFAOYSA-M
SMILES:
CCOc1ccc(c2c1nccc2)S(=O)(=O)[O-].[Na+].O
EC Number:
230-651-8
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.033g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.269g/mol
Monoisotopic Mass:
293.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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