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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6O7.Ca
Molecular Weight 230.186
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM MONOCITRATE

SMILES

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

InChI

InChIKey=PFKGDYCESFRMAP-UHFFFAOYSA-L
InChI=1S/C6H8O7.Ca/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2

HIDE SMILES / InChI

Molecular Formula C6H6O7
Molecular Weight 190.1076
Charge -2
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 Ca
Molecular Weight 40.078
Charge 2
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

Substance Class Chemical
Record UNII
QCD9FA9PLW
Record Status Validated (UNII)
Record Version