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4-Hydroxybenzoic acid-[13C6]

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General Information
Catalog: BLP-008249
CAS: 287399-29-5
Molecular Formula: C[13C]6H6O3
Molecular Weight: 144.08

Chemical Structure

Description	4-Hydroxybenzoic acid-[13C6] is the labelled analogue of 4-Hydroxybenzoic acid, which is an impurity of Aspirin.
Synonyms	4-Hydroxybenzoic acid-ring-13C6; 4-Hydroxybenzoic-1,2,3,4,5,6-13C6 Acid; p-Salicylic Acid-13C6; 4-Carboxyphenol-13C6; Paraben-acid-13C6; p-Carboxyphenol-13C6; p-Hydroxybenzoic Acid-13C6; NSC 4961-13C6; USP Salicylic Acid Related Compound A-13C6; 4-Hydroxybenzoic acid-(phenyl-13C6)
IUPAC Name	4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
Related CAS	99-96-7 (unlabelled)
Isomeric SMILES	[13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1C(=O)O)O
Canonical SMILES	C1=CC(=CC=C1C(=O)O)O
InChI	InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	FJKROLUGYXJWQN-IDEBNGHGSA-N
Melting Point	213-215°C
Purity	≥98%; ≥99% atom 13C
Solubility	Slightly soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at 2-8°C under inert atmosphere