Registration Dossier
Registration Dossier
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EC number: 212-755-5 | CAS number: 866-84-2
Reference substances
- IUPAC name:
- tripotassium citrate
Inventory
- EC number:
- 212-755-5
- EC name:
- Tripotassium citrate
- CAS number:
- 866-84-2
- CAS number:
- 866-84-2
Synonyms
- Names:
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripotassium salt
- Identifier:
- CAS number
- 6100-05-6
- Identifier:
- CAS number
- 866-84-2, 6100-05-6
- Identifier:
- IUPAC name
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium salt, hydrate (1:3:1)
- Identifier:
- IUPAC name
- Tripotassium citrate
- Identifier:
- IUPAC name
- tripotassium 2-hydroxypropane-1,2,3-tricarboxylate
- Identifier:
- other: SMILES notation
- C(CC(=O)[O-])(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+]
- Identifier:
- other: Molecular formula
- C6H5K3O7
- Identifier:
- other: Molecular formula
- C6H5K3O7 tripotassium citrate
- Identifier:
- other: Molecular formula
- C6H5O7.3K
- Identifier:
- other: Molecular formula
- C6H8O7.3K*H2O
- Identifier:
- other: InChl
- InChI=1/C6H8O7.3K/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;3*+1/p-3 AuxInfo=1/1/N:2,3,6,7,4,1,10,11,12,13,8,9,5;14;15;16/E:(1,2)(3,4)(7,8,9,10)(11,12);;;/gE:(1,2);;;/rA:16nCCCCOCCOO-OO-OO-K+K+K+/rB:s1;s1;s1;s1;s2;s3;d4;s4;d6;s6;d7;s7;;;;/rC:.0586,-.2448,0;-.669,-.6552,0;.769,-.6552,0;.0586,.5828,0;.2655,-1.0448,0;-1.3793,-.2517,0;1.4828,-.2379,0;.769,.9966,0;-.669,.9931,0;-1.3793,.5828,0;-2.0931,-.6655,0;1.4828,.5862,0;2.2069,-.6552,0;3.9207,-.731,0;-.731,2.3621,0;-4.0966,-.9552,0;
- Identifier:
- other: InChl
- InChI=1S/C6H8O7.3K/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;3*+1/p-3
- Identifier:
- other: SMILES notation
- [K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
- tripotassium citrate
Molecular and structural information
- Molecular formula:
- C6H8O7.3K
- Molecular weight:
- 306.395
- SMILES notation:
- [K+].[K+].[K+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
- InChl:
- InChI=1/C6H8O7.3K/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;3*+1/p-3
- Structural formula:
Related substances
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