Vermistatin

Base Information

• Chemical Name: Vermistatin
• CAS No.: 72669-21-7
• Molecular Formula: C18H16 O6
• Molecular Weight: 328.32
• NSC Number: 656107
• UNII: GX8U4VXD8W
• DSSTox Substance ID: DTXSID001045463
• Nikkaji Number: J261.777C
• Wikipedia: Vermistatin
• Wikidata: Q15427943
• Metabolomics Workbench ID: 106783
• ChEMBL ID: CHEMBL1997854
• Mol file: 72669-21-7.mol

Synonyms:5-(4,6-dimethoxyphthalidyl)-2-propenyl-4H-pyran-4-one;vermistatin

Chemical Property of Vermistatin

Chemical Property:

• Vapor Pressure: 1.77E-13mmHg at 25°C
• Boiling Point: 580.7°C at 760 mmHg
• Flash Point: 258.3°C
• PSA: 74.97000
• Density: 1.367g/cm³
• LogP: 2.94990
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 328.09468823
• Heavy Atom Count: 24
• Complexity: 617

Purity/Quality:

99% ^*data from raw suppliers

Vermistatin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC1=CC(=O)C(=CO1)C2C3=C(C=C(C=C3OC)OC)C(=O)O2
• Isomeric SMILES: C/C=C/C1=CC(=O)C(=CO1)[C@H]2C3=C(C=C(C=C3OC)OC)C(=O)O2

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