Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester

Base Information

• Chemical Name: Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester
• CAS No.: 709031-35-6
• Molecular Formula: C₁₃H₁₈Cl₂O₃
• Molecular Weight: 293.19
• European Community (EC) Number: 615-201-4
• DSSTox Substance ID: DTXSID801169596
• Mol file: 709031-35-6.mol

Synonyms:SCHEMBL3294691;GEQATSDFKPXMJY-UHFFFAOYSA-N;DTXSID801169596;dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester;Methyl alpha,alpha-dichloro-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetate;709031-35-6

Chemical Property of Dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid methyl ester

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 292.0632998
• Heavy Atom Count: 18
• Complexity: 380

Purity/Quality:

95%-98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C12CC3CC(C1)CC(C3)(C2)O)(Cl)Cl