Isochromophilone VII

Base Information

• Chemical Name: Isochromophilone VII
• CAS No.: 175448-30-3
• Molecular Formula: C21H25ClO6
• Molecular Weight: 408.8726
• Nikkaji Number: J739.512D
• Metabolomics Workbench ID: 100818
• Mol file: 175448-30-3.mol

Synonyms:5-chloro-3-(3',5'-dimethyl-1',3'-heptadienyl)-1,7,8a-trihydro-7,8a-dihydroxy-7-methyl-6H-2-benzopyran-6,8(7H)-dione 7-acetate;isochromophilone VII

Chemical Property of Isochromophilone VII

Chemical Property:

• Vapor Pressure: 2.86E-14mmHg at 25°C
• Boiling Point: 547.5°C at 760 mmHg
• Flash Point: 284.9°C
• Density: 1.27g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 408.1339662
• Heavy Atom Count: 28
• Complexity: 834

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2(CO1)O)(C)OC(=O)C)Cl
• Isomeric SMILES: CCC(C)/C=C(\C)/C=C/C1=CC2=C(C(=O)C(C(=O)C2(CO1)O)(C)OC(=O)C)Cl