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Benzoic acid-[d]

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General Information
Catalog: BLP-011040
CAS: 406679-59-2
Molecular Formula: C7H5DO2
Molecular Weight: 123.13

Chemical Structure

Description	Benzoic acid-[d] 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-d
IUPAC Name	deuterio benzoate
Related CAS	65-85-0 (unlabelled)
Isomeric SMILES	[2H]OC(=O)C1=CC=CC=C1
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)/i/hD
InChI Key	WPYMKLBDIGXBTP-DYCDLGHISA-N
Boiling Point	249°C (lit.)
Melting Point	121-125°C (lit.)
Purity	98% atom D