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Vanillin-[5-d1]

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General Information
Catalog: BLP-000284
Molecular Formula: C8H7DO3
Molecular Weight: 153.15

Chemical Structure

Synonyms	4-Hydroxy-3-methoxybenzaldehyde-5-d1; Vanillin-5-d1
IUPAC Name	(4E)-2-deuterio-4-(hydroxymethylidene)-6-methoxycyclohexa-2,5-dien-1-one
Related CAS	121-33-5 (unlabelled)
Canonical SMILES	COC1=CC(=CO)C=CC1=O
InChI	InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,9H,1H3/b6-5+/i3D
InChI Key	MWOOGOJBHIARFG-WFVSFCRTSA-N
Boiling Point	170 °C at 15 mmHg (lit.)
Melting Point	81-83 °C (lit.)
Purity	≥99% (CP); ≥90% atom D
Appearance	Solid