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Homovanillic Acid-[13C6]

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General Information
Catalog: BLP-011888
CAS: 1185016-45-8
Molecular Formula: C3[13C]6H10O4
Molecular Weight: 188.13

Chemical Structure

Synonyms	Homovanillic Acid 13C6; [4-Hydroxy-3-methoxy(13C6)phenyl]acetic acid
IUPAC Name	2-(4-hydroxy-3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)acetic acid
Related CAS	306-08-1 (unlabelled)
Isomeric SMILES	CO[13C]1=[13C]([13CH]=[13CH][13C](=[13CH]1)CC(=O)O)O
Canonical SMILES	COC1=C(C=CC(=C1)CC(=O)O)O
InChI	InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/i2+1,3+1,4+1,6+1,7+1,8+1
InChI Key	QRMZSPFSDQBLIX-BOCFXHSMSA-N
Melting Point	119-130°C
Purity	95% atom 13C
Solubility	Soluble in Methanol, Methanol
Appearance	Off-white Solid
Application	A neuroendocrine tumor marker. A Labelled metabolite of Dihydroxyphenylacetic Acid (DOPAC).
Storage	Store at -20°C