Pumilin

Base Information

• Chemical Name: Pumilin
• CAS No.: 1405-19-2
• Molecular Formula: C20H22O7
• Molecular Weight: 374.3845
• Nikkaji Number: J15.024J
• Wikidata: Q104397869
• Metabolomics Workbench ID: 141542
• ChEMBL ID: CHEMBL517308
• Mol file: 1405-19-2.mol

Synonyms:pumilene

Chemical Property of Pumilin

Chemical Property:

• Vapor Pressure: 4.48E-18mmHg at 25°C
• Boiling Point: 622°Cat760mmHg
• Flash Point: 222.3°C
• PSA: 110.13000
• Density: 1.35g/cm³
• LogP: 0.91330
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 374.13655304
• Heavy Atom Count: 27
• Complexity: 860

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1C(C2C(C3(C(=CC(=O)C3=C1C)C)O)OC(=O)C2=C)O
• Isomeric SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@H]2[C@@H]([C@]3(C(=CC(=O)C3=C1C)C)O)OC(=O)C2=C)O

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