CIS-​ENDO-​BICYCLO[2.2.1]HEPTANE-​2,3-​DICARBOXYLIC ACID, DISODIUM SALT

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Keyword(s): Food Contact Chemicals ; Plastic additives
Molecule Category Salt-form
EPA CompTox DTXSID80188678

Structure

InChI Key FXDGCBFGSXNGQD-FAESFXMKSA-L
Smiles [Na+].[Na+].[O-]C(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C([O-])=O
InChI
InChI=1S/C9H12O4.2Na/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;;/h4-7H,1-3H2,(H,10,11)(H,12,13);;/q;2*+1/p-2/t4-,5+,6-,7+;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10Na2O4
Molecular Weight 228.04
AlogP -7.84
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 80.26
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 351870-33-2
NORMAN SUSDAT
CONTENTS