4-(3-Hydroperoxy-3-methyl-1-butenyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one

Base Information

• Chemical Name: 4-(3-Hydroperoxy-3-methyl-1-butenyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one
• CAS No.: 160858-31-1
• Molecular Formula: C17H16 O6
• Molecular Weight: 316.31
• Nikkaji Number: J557.966J
• Mol file: 160858-31-1.mol

Synonyms:4-(3-hydroperoxy-3-methyl-1-butenyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one;4-(3-hydroperoxy-3-methyl-1-butenyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one, (E)-isomer;HOO-MBM-furocoumarin

Chemical Property of 4-(3-Hydroperoxy-3-methyl-1-butenyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one

Chemical Property:

• Vapor Pressure: 2.46E-13mmHg at 25°C
• Boiling Point: 559.1°Cat760mmHg
• Flash Point: 291.9°C
• PSA: 82.04000
• Density: 1.34g/cm³
• LogP: 3.82920
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 316.09468823
• Heavy Atom Count: 23
• Complexity: 511

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C=CC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)OC)OO
• Isomeric SMILES: CC(C)(/C=C/C1=C2C=CC(=O)OC2=C(C3=C1C=CO3)OC)OO