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Benzoic acid-[d]

General Information
Catalog: BLP-011040
CAS: 406679-59-2
Molecular Formula: C7H5DO2
Molecular Weight: 123.13
Chemical Structure
Benzoic acid-[d]
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 [2H]OC(=O)c1ccccc1
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

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