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Homogentisic Acid-[13C6]

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General Information
Catalog: BLP-005945
CAS: 1216468-48-2
Molecular Formula: C2[13C]6H8O4
Molecular Weight: 174.10

Chemical Structure

Description	Homogentisic Acid-[13C6] is an isotope labelled compound of Homogentisic Acid. An intermediate in the metabolism of tyrosine and phenylalanine. Occurs in plants and in the urine of alkaptonurics.
Synonyms	2,5-Dihydroxybenzeneacetic Acid-13C6; 2,5-Dihydroxy-α-toluic Acid-13C6; 2,5-Dihydroxyphenylacetic Acid-13C6; Alcapton-13C6; Homogentisinic Acid-13C6; NSC 88940-13C6
IUPAC Name	2-(2,5-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)acetic acid
Related CAS	451-13-8 (unlabelled)
Isomeric SMILES	[13CH]1=[13CH][13C](=[13C]([13CH]=[13C]1O)CC(=O)O)O
Canonical SMILES	C1=CC(=C(C=C1O)CC(=O)O)O
InChI	InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/i1+1,2+1,3+1,5+1,6+1,7+1
InChI Key	IGMNYECMUMZDDF-JTZKEMBVSA-N
Melting Point	133-136°C (dec.)
Purity	98% by CP; 95% atom 13C
Solubility	Slightly soluble in Methanol
Appearance	Light Pink to Beige Solid
Storage	Store at -20°C