Herbacitrin

Base Information

• Chemical Name: Herbacitrin
• CAS No.: 35815-07-7
• Molecular Formula: C21H20O12
• Molecular Weight: 464.383
• DSSTox Substance ID: DTXSID90189353
• Nikkaji Number: J18.226E
• Wikidata: Q83061410
• Mol file: 35815-07-7.mol

Synonyms:HERBACITRIN;Isoariculatin;Herbacetin 7-O-glucoside;35815-07-7;SCHEMBL1651990;DTXSID90189353

Chemical Property of Herbacitrin

Chemical Property:

• Vapor Pressure: 1.31E-31mmHg at 25°C
• Boiling Point: 861°Cat760mmHg
• Flash Point: 303.5°C
• PSA: 210.51000
• Density: 1.809g/cm³
• LogP: -0.53890
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 464.09547607
• Heavy Atom Count: 33
• Complexity: 750

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(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O