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Homovanillic Acid-[d5]

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General Information
Catalog: BLP-006701
CAS: 53587-32-9
Molecular Formula: C9H5D5O4
Molecular Weight: 187.21

Chemical Structure

Synonyms	HVA-d5; 2-(4-hydroxy-3-methoxyphenyl-2,5,6-d3)acetic-2,2-d2 acid
IUPAC Name	2,2-dideuterio-2-(2,3,6-trideuterio-4-hydroxy-5-methoxyphenyl)acetic acid
Related CAS	306-08-1 (unlabelled)
Canonical SMILES	COC1=C(C=CC(=C1)CC(=O)O)O
InChI	InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/i2D,3D,4D,5D2
InChI Key	QRMZSPFSDQBLIX-DVHRWRHBSA-N
Boiling Point	368.7±27.0°C at 760 mmHg
Melting Point	141-142°C
Purity	98% by CP; 98% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in Methanol
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C, Under inert atmosphere