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Anisole-[2,3,4,5,6-d5]

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General Information
Catalog: BLP-011018
CAS: 50629-14-6
Molecular Formula: C7H3D5O
Molecular Weight: 113.17

Chemical Structure

Synonyms	Methoxy(benzene-d5); Anisole-2,3,4,5,6-d5
IUPAC Name	1,2,3,4,5-pentadeuterio-6-methoxybenzene
Related CAS	100-66-3 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])OC)[2H])[2H]
Canonical SMILES	COC1=CC=CC=C1
InChI	InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D
InChI Key	RDOXTESZEPMUJZ-VIQYUKPQSA-N
Boiling Point	154°C (lit.)
Melting Point	-37°C (lit.)
Purity	99% by CP; 98% atom D
Density	1.040 g/cm3 at 25°C