Betavulgarin

Base Information

• Chemical Name: Betavulgarin
• CAS No.: 51068-94-1
• Molecular Formula: C₁₇H₁₂O₆
• Molecular Weight: 312.279
• UNII: 6ZPC914C84
• DSSTox Substance ID: DTXSID30331899
• Nikkaji Number: J624.057G
• Wikidata: Q27105938
• Metabolomics Workbench ID: 22498
• Mol file: 51068-94-1.mol

Synonyms:7-(2-Hydroxyphenyl)-9-methoxy-8H-(1,3)dioxolo(4,5-g)chromen-8-one;8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 7-(2-hydroxyphenyl)-9-methoxy-;betavulgarin

Chemical Property of Betavulgarin

Chemical Property:

• Vapor Pressure: 3.84E-12mmHg at 25°C
• Boiling Point: 536.9°Cat760mmHg
• Flash Point: 203.5°C
• PSA: 78.13000
• Density: 1.466g/cm³
• LogP: 2.90290
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 312.06338810
• Heavy Atom Count: 23
• Complexity: 503

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4O