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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8ClO3.Na
Molecular Weight 222.601
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MCPA-SODIUM

SMILES

[Na+].CC1=C(OCC([O-])=O)C=CC(Cl)=C1

InChI

InChIKey=STAPBGVGYWCRTF-UHFFFAOYSA-M
InChI=1S/C9H9ClO3.Na/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2-4H,5H2,1H3,(H,11,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C9H8ClO3
Molecular Weight 199.611
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

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
4E2KB6UGRM
Record Status Validated (UNII)
Record Version