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83848-51-5 | 6-Quinolinesulfonicacid, 2-methyl-, sodium salt (1:1)
CAS No: 83848-51-5 Catalog No: AG004VW2 MDL No:
Product Description
Catalog Number:
AG004VW2
Chemical Name:
6-Quinolinesulfonicacid, 2-methyl-, sodium salt (1:1)
CAS Number:
83848-51-5
Molecular Formula:
C10H8NNaO3S
Molecular Weight:
245.2302
IUPAC Name:
sodium;2-methylquinoline-6-sulfonate
InChI:
InChI=1S/C10H9NO3S.Na/c1-7-2-3-8-6-9(15(12,13)14)4-5-10(8)11-7;/h2-6H,1H3,(H,12,13,14);/q;+1/p-1
InChI Key:
QYPOYQXFHWKABL-UHFFFAOYSA-M
SMILES:
Cc1ccc2c(n1)ccc(c2)S(=O)(=O)[O-].[Na+]
EC Number:
281-083-2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.228g/mol
Monoisotopic Mass:
245.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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