Methyl 2-cyano-3-hydroxy-2-(hydroxymethyl)propanoate

Base Information

• Chemical Name: Methyl 2-cyano-3-hydroxy-2-(hydroxymethyl)propanoate
• CAS No.: 200864-39-7
• Molecular Formula: C₆H₉NO₄
• Molecular Weight: 159.142
• DSSTox Substance ID: DTXSID40514919
• Nikkaji Number: J912.589B
• Wikidata: Q82375505

Synonyms:Methyl 2-cyano-3-hydroxy-2-(hydroxymethyl)propanoate;200864-39-7;SCHEMBL382635;DTXSID40514919;CNRCDRCYRUQKFU-UHFFFAOYSA-N;Methyl 2-cyano-3-hydroxy-2-hydroxymethylpropanoate

Chemical Property of Methyl 2-cyano-3-hydroxy-2-(hydroxymethyl)propanoate

Chemical Property:

• Boiling Point: 394.3±37.0 °C(Predicted)
• PSA: 90.55000
• Density: 1.331±0.06 g/cm3(Predicted)
• LogP: -1.34602
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 159.05315777
• Heavy Atom Count: 11
• Complexity: 188

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CO)(CO)C#N

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