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Benzoic acid-[13C7]

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General Information
Catalog: BLP-000064
CAS: 222412-89-7
Molecular Formula: [13C]7H6O2
Molecular Weight: 129.07

Chemical Structure

Synonyms	Benzoic acid-13C7
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)[13C](=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+1,7+1
InChI Key	WPYMKLBDIGXBTP-BNUYUSEDSA-N
Boiling Point	249 °C (lit.)
Melting Point	121-125 °C (lit.)
Purity	99% atom 13C
Appearance	White Crystal