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Details

Stereochemistry ACHIRAL
Molecular Formula 2C8H5O3.Ca
Molecular Weight 338.325
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Calcium phenylglyoxylate

SMILES

[Ca++].[O-]C(=O)C(=O)C1=CC=CC=C1.[O-]C(=O)C(=O)C2=CC=CC=C2

InChI

InChIKey=ANCMHDZMDGOGAX-UHFFFAOYSA-L
InChI=1S/2C8H6O3.Ca/c2*9-7(8(10)11)6-4-2-1-3-5-6;/h2*1-5H,(H,10,11);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C8H5O3
Molecular Weight 149.1235
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 Sat Dec 16 12:27:14 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:14 GMT 2023
Record UNII
663V2TTT5W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Calcium phenylglyoxylate
Systematic Name English
Benzeneacetic acid, α-oxo-, calcium salt (2:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
21149467
Created by admin on Sat Dec 16 12:27:14 GMT 2023 , Edited by admin on Sat Dec 16 12:27:14 GMT 2023
PRIMARY
ECHA (EC/EINECS)
257-601-8
Created by admin on Sat Dec 16 12:27:14 GMT 2023 , Edited by admin on Sat Dec 16 12:27:14 GMT 2023
PRIMARY
CAS
52009-50-4
Created by admin on Sat Dec 16 12:27:14 GMT 2023 , Edited by admin on Sat Dec 16 12:27:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID80199981
Created by admin on Sat Dec 16 12:27:14 GMT 2023 , Edited by admin on Sat Dec 16 12:27:14 GMT 2023
PRIMARY
FDA UNII
663V2TTT5W
Created by admin on Sat Dec 16 12:27:14 GMT 2023 , Edited by admin on Sat Dec 16 12:27:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE