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3-Nitro-4-hydroxyphenyl-[13C6] acetic acid

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General Information
Catalog: BLP-005735
Molecular Formula: [13C]6C2H7NO5
Molecular Weight: 203.10

Chemical Structure

Description	3-Nitro-4-hydroxyphenyl-[13C6] acetic acid is intended for use as an internal standard for 4-Hydroxy-3-nitrophenylacetic Acid. 4-Hydroxy-3-nitrophenylacetic Acid is a metabolite of Nitrotyrosine, which is excreted in the urine.
IUPAC Name	2-(4-hydroxy-3-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)acetic acid
Related CAS	10463-20-4 (unlabelled)
Canonical SMILES	C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])O
InChI	InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)/i1+1,2+1,3+1,5+1,6+1,7+1
InChI Key	COVPALHZVMEROO-JTZKEMBVSA-N
Melting Point	146-148°C
Purity	97% by CP; 99% atom 13C
Appearance	White Solid