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Reference substances

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General information

Inventory

EC number:
212-755-5
EC name:
Tripotassium citrate
CAS number:
866-84-2

No inventory information available

Reference substance information

IUPAC name:
tripotassium 2-hydroxypropane-1,2,3-tricarboxylate
Synonyms
Names:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripotassium salt
Identifier:
CAS number
6100-05-6
Identifier:
CAS number
866-84-2
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;
tripotassium citrate

CAS information

CAS number:
866-84-2

Related substances

Identifiers of related substancesopen allclose all
Identifier:
CAS number
Identity:
6100-05-6
Identifier:
CAS number
Identity:
866-84-2

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:
Chemical structure