SODIUM 2-(4-METHOXYPHENOXY)PROPIONATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII ZU3D90W5GZ

Structure

InChI Key MIEKOFWWHVOKQX-UHFFFAOYSA-N
Smiles [Na+].[O-]C(=O)C(Oc1ccc(OC)cc1)C;COc1ccc(OC(C)C(O)=O)cc1;CC(C(=O)O)OC1=CC=C(C=C1)OC
InChI
InChI=1S/C10H12O4/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3,(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O4
Molecular Weight 196.07
AlogP 1.55
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 55.76
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 13794-15-5
NORMAN SUSDAT
FDA SRS ZU3D90W5GZ
CONTENTS