PHTHALIC ACID, SODIUM SALT

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form

Structure

InChI Key IZUPJOYPPLEPGM-UHFFFAOYSA-M
Smiles [Na+].OC(=O)c1ccccc1C(=O)[O-]
InChI
InChI=1/C8H6O4.Na/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H5NaO4
Molecular Weight 188.01
AlogP -3.25
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 77.43
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 10197-71-4
NORMAN SUSDAT
CONTENTS