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Benzoic acid-[4-13C]

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General Information
Catalog: BLP-011039
CAS: 170703-36-3
Molecular Formula: C6[13C]H6O2
Molecular Weight: 123.11

Chemical Structure

Description	Benzoic acid-[4-13C] 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	Benzoic acid-(phenyl-4-13C); Benzoic acid-4-13C
IUPAC Name	(4-13C)cyclohexatrienecarboxylic acid
Related CAS	65-85-0 (unlabelled)
Isomeric SMILES	C1=CC(=CC=[13CH]1)C(=O)O
Canonical SMILES	OC(=O)c1cc[13cH]cc1
InChI	InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1+1
InChI Key	WPYMKLBDIGXBTP-OUBTZVSYSA-N
Boiling Point	249°C (lit.)
Melting Point	121-125°C (lit.)
Purity	99% atom 13C
Storage	Store at 2-8°C