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Details

Stereochemistry RACEMIC
Molecular Formula C8H7O3.Na
Molecular Weight 174.1291
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM MANDELATE

SMILES

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

InChI

InChIKey=FWDLHTBMGQEUDU-UHFFFAOYSA-M
InChI=1S/C8H8O3.Na/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C8H7O3
Molecular Weight 151.1394
Charge -1
Count
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
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:09:49 UTC 2023
Edited
by admin
on Fri Dec 15 15:09:49 UTC 2023
Record UNII
83WBN2F871
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM MANDELATE
Common Name English
DL-SODIUM MANDELATE
Common Name English
MANDELIC ACID SODIUM SALT [MI]
Common Name English
MANDELIC ACID, SODIUM SALT
Common Name English
MANDELIC ACID SODIUM SALT
MI  
Common Name English
SODIUM PHENYLGLYCOLATE
Systematic Name English
Code System Code Type Description
MERCK INDEX
m7051
Created by admin on Fri Dec 15 15:09:49 UTC 2023 , Edited by admin on Fri Dec 15 15:09:49 UTC 2023
PRIMARY Merck Index
FDA UNII
83WBN2F871
Created by admin on Fri Dec 15 15:09:49 UTC 2023 , Edited by admin on Fri Dec 15 15:09:49 UTC 2023
PRIMARY
CAS
114-21-6
Created by admin on Fri Dec 15 15:09:49 UTC 2023 , Edited by admin on Fri Dec 15 15:09:49 UTC 2023
PRIMARY
PUBCHEM
23675514
Created by admin on Fri Dec 15 15:09:49 UTC 2023 , Edited by admin on Fri Dec 15 15:09:49 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-041-7
Created by admin on Fri Dec 15 15:09:49 UTC 2023 , Edited by admin on Fri Dec 15 15:09:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID30921254
Created by admin on Fri Dec 15 15:09:49 UTC 2023 , Edited by admin on Fri Dec 15 15:09:49 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE