Clerodane-6,7-dione

Base Information

• Chemical Name: Clerodane-6,7-dione
• CAS No.: 73114-26-8
• Molecular Formula: C22H24O8
• Molecular Weight: 416.4212
• NSC Number: 329503
• DSSTox Substance ID: DTXSID90474933

Synonyms:NSC329503;73114-26-8;CLERODANE-6,7-DIONE;DTXSID90474933;NSC-329503

Chemical Property of Clerodane-6,7-dione

Chemical Property:

• Boiling Point: 609.1°Cat760mmHg
• Flash Point: 322.2°C
• Density: 1.38g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 416.14711772
• Heavy Atom Count: 30
• Complexity: 822

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Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)C(=O)C2(C(C13CC(OC3=O)C4=COC=C4)CCCC25CO5)COC(=O)C
• Isomeric SMILES: C[C@@H]1C(=O)C(=O)C2([C@@H]([C@@]13CC(OC3=O)C4=COC=C4)CCC[C@]25CO5)COC(=O)C

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