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Saccharin Sodium

CAT: 1299-RM-S010410-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S010410-01Size:10 mg
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CAS Number
128-44-9
Synonyms
Sodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide
Molecular Formula
C7H4NO3S Na
Molecular Weight
182.17 22.99
Target Alternative Name
Saccharin
Product Name Synonym
Sodium 3-oxo-3H-benzo[d]isothiazol-2-ide 1,1-dioxide

Chemical Information

Sodium saccharin

Saccharin sodium is an organic molecular entity.

CAS Number128-44-9
PubChem CID656582
IUPAC Namesodium 1,1-dioxo-1,2-benzothiazol-2-id-3-one
Molecular FormulaC7H4NNaO3S
Molecular Weight205.17
Topological Polar Surface Area60.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity308
SMILES
C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+]
InChI
InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1/p-1
InChIKey
WINXNKPZLFISPD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium saccharin
CAS: 128-44-9
CID: 656582
Formula: C7H4NNaO3S
MW: 205.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight205.17
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass204.98095845
Monoisotopic Mass204.98095845
Topological Polar Surface Area60.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity308
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes