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Citric acid-[2,4-13C2]

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General Information
Catalog: BLP-009200
CAS: 121633-50-9
Molecular Formula: C4[13C]2H8O7
Molecular Weight: 194.11

Chemical Structure

Description	Citric acid-[2,4-13C2] is a labelled citric acid. Citric acid is found in many fruits and vegetables, especially in citrus fruits. It participates in biological process in humans such as citric acid cycle.
IUPAC Name	2-hydroxy(1,3-13C2)propane-1,2,3-tricarboxylic acid
Related CAS	77-92-9 (unlabelled)
Isomeric SMILES	[13CH2](C(=O)O)C([13CH2]C(=O)O)(C(=O)O)O
Canonical SMILES	C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI	InChI=1S/C6H8O7/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)/i1+1,2+1
InChI Key	KRKNYBCHXYNGOX-ZDOIIHCHSA-N
Melting Point	153-159°C (lit.)
Purity	99% atom 13C
Density	1.762 g/cm3