O-PHENYLENEDIARSONIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key FBDWZBKCZCVCNV-UHFFFAOYSA-N
Smiles O[As](=O)(O)c1ccccc1[As](=O)(O)O
InChI
InChI=1/C6H8As2O6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h1-4H,(H2,9,10,11)(H2,12,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8As2O6
Molecular Weight 325.88
AlogP -3.19
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 115.06
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 1758-48-1
NORMAN SUSDAT
CONTENTS