U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C10H11O4.Na
Molecular Weight 218.1817
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2-(4-METHOXYPHENOXY)PROPANOATE

SMILES

[Na+].COC1=CC=C(OC(C)C([O-])=O)C=C1

InChI

InChIKey=SKORRGYRKQDXRS-UHFFFAOYSA-M
InChI=1S/C10H12O4.Na/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C10H11O4
Molecular Weight 195.1919
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
ZU3D90W5GZ
Record Status Validated (UNII)
Record Version