Caffeic acid 4-O-beta-D-glucopyranoside

Base Information

• Chemical Name: Caffeic acid 4-O-beta-D-glucopyranoside
• CAS No.: 17093-82-2
• Molecular Formula: C15H18 O9
• Molecular Weight: 342.298
• DSSTox Substance ID: DTXSID801289716
• Mol file: 17093-82-2.mol

Synonyms:DTXSID801289716;17093-82-2;Caffeic acid 4-O-beta-D-glucopyranoside

Chemical Property of Caffeic acid 4-O-beta-D-glucopyranoside

Chemical Property:

• Vapor Pressure: 6.03E-20mmHg at 25°C
• Boiling Point: 689.2°C at 760 mmHg
• Flash Point: 257°C
• Density: 1.625g/cm³
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 342.09508215
• Heavy Atom Count: 24
• Complexity: 454

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)OC2C(C(C(C(O2)CO)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O