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83929-58-2 | 6-Quinolinesulfonicacid, 2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-8-methyl-, sodium salt (1:1)
CAS No: 83929-58-2 Catalog No: AG00532S MDL No:
Product Description
Catalog Number:
AG00532S
Chemical Name:
6-Quinolinesulfonicacid, 2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-8-methyl-, sodium salt (1:1)
CAS Number:
83929-58-2
Molecular Formula:
C19H12NNaO5S
Molecular Weight:
389.3570
IUPAC Name:
sodium;2-(1,3-dioxoinden-2-yl)-8-methylquinoline-6-sulfonate
InChI:
InChI=1S/C19H13NO5S.Na/c1-10-8-12(26(23,24)25)9-11-6-7-15(20-17(10)11)16-18(21)13-4-2-3-5-14(13)19(16)22;/h2-9,16H,1H3,(H,23,24,25);/q;+1/p-1
InChI Key:
MAPFIYYETAUSIN-UHFFFAOYSA-M
SMILES:
O=C1C(c2ccc3c(n2)c(C)cc(c3)S(=O)(=O)[O-])C(=O)c2c1cccc2.[Na+]
EC Number:
281-350-3
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.033g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.357g/mol
Monoisotopic Mass:
389.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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