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1-(3,4-Methylenedioxyphenyl)-4,4-dimethyl-d6-pent-1-en-3-one-[d3]

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General Information
Catalog: BLP-012207
CAS: 1262795-35-6
Molecular Formula: C14H7D9O3
Molecular Weight: 241.33

Chemical Structure

Synonyms	(1E)-1-(1,3-Benzodioxol-5-yl)-4,4-bis[(2H3)methyl](5,5,5-2H3)-1-penten-3-one; 1-(3,4-Methylenedioxyphenyl)-4,4-dimethyl-d6-pent-1-en-3-one-d3
IUPAC Name	(E)-1-(1,3-benzodioxol-5-yl)-5,5,5-trideuterio-4,4-bis(trideuteriomethyl)pent-1-en-3-one
Related CAS	2419-68-3 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(C(=O)/C=C/C1=CC2=C(C=C1)OCO2)(C([2H])([2H])[2H])C([2H])([2H])[2H]
Canonical SMILES	CC(C)(C)C(=O)C=CC1=CC2=C(C=C1)OCO2
InChI	InChI=1S/C14H16O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8H,9H2,1-3H3/b7-5+/i1D3,2D3,3D3
InChI Key	LXFNQCGNCFRKRR-QPYRMXHWSA-N
Boiling Point	358.8±11.0 °C at 760 mmHg
Purity	95% atom D
Density	1.1±0.1 g/cm3
Solubility	Soluble in Chloroform, Dichloromethane, Ethanol, Ethyl Acetate
Appearance	Off-white Solid
Storage	Store at -20°C