alpha-Cyano-3,5-dimethoxy-4-hydroxycinnamic acid

Base Information

• Chemical Name: alpha-Cyano-3,5-dimethoxy-4-hydroxycinnamic acid
• CAS No.: 118409-67-9
• Molecular Formula: C12H11NO5
• DSSTox Substance ID: DTXSID201194591

Synonyms:SCHEMBL5164387;NDBVLMVMOJCWHU-UHFFFAOYSA-N;DTXSID201194591;alpha-cyano-3,5-dimethoxy-4-hydroxycinnamic acid;2-Cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid;118409-67-9

Chemical Property of alpha-Cyano-3,5-dimethoxy-4-hydroxycinnamic acid

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 249.06372245
• Heavy Atom Count: 18
• Complexity: 369

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)C=C(C#N)C(=O)O

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