(E,4Z)-4-[cyano-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]hex-2-enedioic acid

Base Information

• Chemical Name: (E,4Z)-4-[cyano-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]hex-2-enedioic acid
• CAS No.: 28876-11-1
• Molecular Formula: C14H17 N O10
• Molecular Weight: 359.29
• Mol file: 28876-11-1.mol

Synonyms:triglochinin

Chemical Property of (E,4Z)-4-[cyano-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]hex-2-enedioic acid

Chemical Property:

• Vapor Pressure: 2.08E-27mmHg at 25°C
• Boiling Point: 770.5°Cat760mmHg
• Flash Point: 419.8°C
• PSA: 197.77000
• Density: 1.67g/cm³
• LogP: -2.30392
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 359.08524574
• Heavy Atom Count: 25
• Complexity: 618

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)OC(=C(CC(=O)O)C=CC(=O)O)C#N)O)O)O)O
• Isomeric SMILES: C(C1C(C(C(C(O1)O/C(=C(/CC(=O)O)\C=C\C(=O)O)/C#N)O)O)O)O