(-)-Deltoin

Base Information

• Chemical Name: (-)-Deltoin
• CAS No.: 19662-71-6
• Deprecated CAS: 24720-11-4
• Molecular Formula: C₁₉H₂₀O₅
• Molecular Weight: 328.365
• UNII: H7ID2E493F
• DSSTox Substance ID: DTXSID101318302
• Nikkaji Number: J16.104G,J3.229.912A
• Wikidata: Q27155078
• Metabolomics Workbench ID: 123494
• ChEMBL ID: CHEMBL1443379
• Mol file: 19662-71-6.mol

Synonyms:deltoin

Chemical Property of (-)-Deltoin

Chemical Property:

• Vapor Pressure: 3.27E-09mmHg at 25°C
• Boiling Point: 475.6°C at 760 mmHg
• Flash Point: 209.6°C
• PSA: 65.74000
• Density: 1.232g/cm³
• LogP: 3.38450
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 328.13107373
• Heavy Atom Count: 24
• Complexity: 589

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3
• Isomeric SMILES: C/C=C(\C)/C(=O)OC(C)(C)[C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3

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