LITHIUM 3-CARBOXY-5-SULFOBENZOATE

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Keyword(s): Plastic additives ; Food Contact Chemicals
Molecule Category Salt-form
UNII VV3666GGJQ
EPA CompTox DTXSID5044819

Structure

InChI Key GGKPBCOOXDBLLG-UHFFFAOYSA-M
Smiles [Li+].OC(=O)C1=CC(=CC(=C1)S(O)(=O)=O)C([O-])=O
InChI
InChI=1S/C8H6O7S.Li/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H5LiO7S
Molecular Weight 251.99
AlogP -4.0
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 131.8
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 46728-75-0
NORMAN SUSDAT
FDA SRS VV3666GGJQ
PubChem 23688987
ChemSpider 149297.0
CONTENTS