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Benzoic acid-[ring-13C6]

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General Information
Catalog: BLP-009185
CAS: 125945-98-4
Molecular Formula: C[13C]6H6O2
Molecular Weight: 128.08

Chemical Structure

Description	Benzoic acid-[ring-13C6] is a stable isotopic analog of Benzoic Acid. Benzoic acid is a colorless crystalline solid and a simple aromatic carboxylic acid, used as a food preservative.
Synonyms	Benzenecarboxylic Acid-13C6; Benzeneformic Acid-13C6; Carboxybenzene-13C6; Dracylic Acid-13C6; E 210-13C6; HA 1-13C6; MENNO-Florades-13C6; NSC 149-13C6; Phenylcarboxylic Acid-13C6; Phenylformic Acid-13C6; Purox B-13C6; Retarder BA-13C6; Retardex-13C6; Salvo Liquid-13C6; Solvo Powder-13C6; Tenn-Plas-13C6; VevoVitall-13C6
IUPAC Name	(1,2,3,4,5,6-13C6)cyclohexatrienecarboxylic acid
Related CAS	65-85-0 (unlabelled)
Isomeric SMILES	[13CH]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)C(=O)O
Canonical SMILES	C1=CC=C(C=C1)C(=O)O
InChI	InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	WPYMKLBDIGXBTP-IDEBNGHGSA-N
Boiling Point	249°C (lit.)
Melting Point	121-125°C (lit.)
Purity	99% atom 13C
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid
Storage	2-8ºC