1,3-BENZENEDICARBOXYLIC ACID, SODIUM SALT (1:2)

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID0064911

Structure

InChI Key GZCKIUIIYCBICZ-UHFFFAOYSA-L
Smiles [Na+].[Na+].[O-]C(=O)C1=CC(=CC=C1)C([O-])=O
InChI
InChI=1S/C8H6O4.2Na/c9-7(10)5-2-1-3-6(4-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H4Na2O4
Molecular Weight 209.99
AlogP -7.58
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 80.26
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 10027-33-5
NORMAN SUSDAT
PubChem 14535627
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