Casegravol

Base Information

• Chemical Name: Casegravol
• CAS No.: 74474-76-3
• Molecular Formula: C15H16O5
• Molecular Weight: 276.2845
• Nikkaji Number: J427.488A
• Mol file: 74474-76-3.mol

Synonyms:Casegravol;74474-76-3;8-[(E)-3,4-dihydroxy-3-methylbut-1-enyl]-7-methoxychromen-2-one;(E)-8-(3,4-Dihydroxy-3-methylbut-1-en-1-yl)-7-methoxy-2H-chromen-2-one;2H-1-Benzopyran-2-one, 8-((1E)-3,4-dihydroxy-3-methyl-1-butenyl)-7-methoxy-;BA-21;AKOS032948893

Chemical Property of Casegravol

Chemical Property:

• Vapor Pressure: 5.57E-12mmHg at 25°C
• Boiling Point: 528.1°C at 760 mmHg
• Flash Point: 200.8°C
• PSA: 79.90000
• Density: 1.314g/cm³
• LogP: 1.55810
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 276.09977361
• Heavy Atom Count: 20
• Complexity: 417

Purity/Quality:

98% ^*data from raw suppliers

Casegravol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)(C=CC1=C(C=CC2=C1OC(=O)C=C2)OC)O
• Isomeric SMILES: CC(CO)(/C=C/C1=C(C=CC2=C1OC(=O)C=C2)OC)O