4-(4-Hydroxy-1-butynl)-alpha,alpha-di-(methyl-D3)-benzeneacetic Acid, Methyl Ester

Base Information

• Chemical Name: 4-(4-Hydroxy-1-butynl)-alpha,alpha-di-(methyl-D3)-benzeneacetic Acid, Methyl Ester
• CAS No.: 1020719-49-6
• Molecular Formula: C15H18O3
• Molecular Weight: 252.34
• DSSTox Substance ID: DTXSID80662009
• Wikidata: Q82579254
• Mol file: 1020719-49-6.mol

Synonyms:1020719-49-6;methyl 3,3,3-trideuterio-2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(trideuteriomethyl)propanoate;4-(4-Hydroxy-1-butynl)-?,?-di-(methyl-D3)-benzeneacetic Acid Methyl Ester;4-(4-Hydroxy-1-butynl)-alpha,alpha-di-(methyl-D3)-benzeneacetic Acid Methyl Ester;Benzeneacetic acid, 4-(4-hydroxy-1-butyn-1-yl)-alpha,alpha-di(methyl-d3)-, methyl ester;4-(4-Hydroxy-1-butynl)-alpha,alpha-di-(methyl-D3)-benzeneacetic Acid, Methyl Ester;DTXSID80662009;QZGRXTVHAIGNKD-WFGJKAKNSA-N;4-(4-Hydroxy-1-butynl)-|A,|A-di-(methyl-D3)-benzeneacetic Acid Methyl Ester;AKOS030243212;CS-T-55860;4-(4-Hydroxy-1-butynl)- alpha , alpha -di-(methyl-D3)-benzeneacetic Acid, Methyl Ester;Methyl 2-[4-(4-hydroxybut-1-yn-1-yl)phenyl]-2-(~2~H_3_)methyl(~2~H_3_)propanoate

Chemical Property of 4-(4-Hydroxy-1-butynl)-alpha,alpha-di-(methyl-D3)-benzeneacetic Acid, Methyl Ester

Chemical Property:

• Solubility.: Chloroform, Dichloromethane, n-Hexane
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 252.163254908
• Heavy Atom Count: 18
• Complexity: 337

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Hydroxy-1-butynl)-α,α-di-(methyl-D3)-benzeneaceticAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C1=CC=C(C=C1)C#CCCO)C(=O)OC
• Isomeric SMILES: [2H]C([2H])([2H])C(C1=CC=C(C=C1)C#CCCO)(C(=O)OC)C([2H])([2H])[2H]
• Uses: 4-(4-Hydroxy-1-butynl)-α,α-di-(methyl-D3)-benzeneacetic Acid Methyl Ester (cas# 1020719-49-6) is a compound useful in organic synthesis.