[4-AMMONIO-2-HYDROXYPHENYL]AMMONIUM SULPHATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID20969322

Structure

InChI Key MPMFUCQQUZSXHJ-UHFFFAOYSA-N
Smiles O=S(=O)([O-])[O-].OC1=CC(=CC=C1[NH3+])[NH3+]
InChI
InChI=1/C6H8N2O.H2O4S/c7-4-1-2-5(8)6(9)3-4;1-5(2,3)4/h1-3,9H,7-8H2;(H2,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8N2O
Molecular Weight 222.03
AlogP -0.1
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Polar Surface Area 146.87
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 54283-76-0
NORMAN SUSDAT
PubChem 3016867
CONTENTS