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Methyl 2-[4-(4-Hydroxybut-1-Ynyl)Phenyl]-2-Methylpropanoate-[d6]

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General Information
Catalog: BLP-012164
CAS: 1020719-49-6
Molecular Formula: C15H12D6O3
Molecular Weight: 252.34

Chemical Structure

Synonyms	4-(4-Hydroxy-1-butynl)-α,α-di-(methyl-D3)-benzeneacetic Acid Methyl Ester
IUPAC Name	methyl 3,3,3-trideuterio-2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(trideuteriomethyl)propanoate
Related CAS	154825-93-1 (unlabelled)
Canonical SMILES	CC(C)(C1=CC=C(C=C1)C#CCCO)C(=O)OC
InChI	InChI=1S/C15H18O3/c1-15(2,14(17)18-3)13-9-7-12(8-10-13)6-4-5-11-16/h7-10,16H,5,11H2,1-3H3/i1D3,2D3
InChI Key	QZGRXTVHAIGNKD-WFGJKAKNSA-N
Boiling Point	366.5±32.0 °C at 760 mmHg
Purity	95% atom D
Density	1.1±0.1 g/cm3
Solubility	Soluble in Chloroform, Dichloromethane, n-Hexane
Appearance	Yellow-Greenish Oil
Storage	Store at -20°C