Sinapoyl malate

Base Information

• Chemical Name: Sinapoyl malate
• CAS No.: 92344-58-6
• Molecular Formula: C15H16O9
• Molecular Weight: 340.28200
• DSSTox Substance ID: DTXSID701346426
• Nikkaji Number: J1.330.867E

Synonyms:2-O-sinapoyl-L-malate;2-O-sinapoylmalate;sinapoyl malate

Chemical Property of Sinapoyl malate

Chemical Property:

• Boiling Point: 546.6±50.0 °C(Predicted)
• PSA: 139.59000
• Density: 1.441±0.06 g/cm3(Predicted)
• LogP: 0.89370
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 340.07943208
• Heavy Atom Count: 24
• Complexity: 473

Purity/Quality:

97% (HPLC)(contains ≤7%EA) ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)OC(CC(=O)O)C(=O)O
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC(CC(=O)O)C(=O)O

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