SODIUM 9,10-DIHYDRO-9,10-DIOXOANTHRACENE-2-SULPHONATE

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Keyword(s): Food Contact Chemicals ; Plastic additives
Molecule Category Salt-form
UNII 511H72SDVX
EPA CompTox DTXSID4044535

Structure

InChI Key GGCZERPQGJTIQP-UHFFFAOYSA-M
Smiles [Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
InChI
InChI=1/C14H8O5S.Na/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;/h1-7H,(H,17,18,19);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H7NaO5S
Molecular Weight 309.99
AlogP -1.63
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 91.34
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 131-08-8
NORMAN SUSDAT
FDA SRS 511H72SDVX
CONTENTS