CAS Registry Number®
813-94-5
CAS Name
Tricalcium citrate
Molecular Formula
C6H8O7.3/2Ca
Molecular Mass
504.48
Other Names and Identifiers
InChI
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);
InChIKey
InChIKey=QXDHJHQRJCJRAU-UHFFFAOYSA-N
SMILES
C(CC(O)=O)(CC(O)=O)(C(O)=O)O.[Ca]
Canonical SMILES
[Ca].O=C(O)CC(O)(C(=O)O)CC(=O)O
Other Names for this Substance
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt (2:3)
- Citric acid, calcium salt (2:3)
- Calcium citrate (Ca3(O7C6H5)2)
- Tricalcium citrate
- Tribasic calcium citrate
Deleted or Replaced CAS Registry Numbers
12405-04-8
