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Home > Indoles and Oxindole > 207399-16-4
207399-16-4 | 1H-Indole-5-sulfonic acid, 2,3-dihydro-2,3-dioxo-, sodium salt, hydrate (1:1:2)
CAS No: 207399-16-4 Catalog No: AG002J10 MDL No:MFCD00192236
Product Description
Catalog Number:
AG002J10
Chemical Name:
1H-Indole-5-sulfonic acid, 2,3-dihydro-2,3-dioxo-, sodium salt, hydrate (1:1:2)
CAS Number:
207399-16-4
Molecular Formula:
C8H8NNaO7S
Molecular Weight:
285.2064
MDL Number:
MFCD00192236
IUPAC Name:
sodium;2,3-dioxo-1H-indole-5-sulfonate;dihydrate
InChI:
InChI=1S/C8H5NO5S.Na.2H2O/c10-7-5-3-4(15(12,13)14)1-2-6(5)9-8(7)11;;;/h1-3H,(H,9,10,11)(H,12,13,14);;2*1H2/q;+1;;/p-1
InChI Key:
QOAFLTFHMZZJFP-UHFFFAOYSA-M
SMILES:
O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)[O-].O.O.[Na+]
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.992g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.202g/mol
Monoisotopic Mass:
284.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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