Isoxochitlolone

Base Information

• Chemical Name: Isoxochitlolone
• CAS No.: 140670-89-9
• Molecular Formula: C18H20 O2
• Molecular Weight: 268.3502
• DSSTox Substance ID: DTXSID10930900
• Metabolomics Workbench ID: 144798
• ChEMBL ID: CHEMBL490160
• Mol file: 140670-89-9.mol

Synonyms:isoxochitlolone

Chemical Property of Isoxochitlolone

Chemical Property:

• Vapor Pressure: 1.23E-09mmHg at 25°C
• Boiling Point: 474.8°C at 760 mmHg
• Flash Point: 201.8°C
• Density: 1.16g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 268.146329876
• Heavy Atom Count: 20
• Complexity: 472

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C=C3C=CCC(C3CC2=O)(C)C)C=C1O
• Isomeric SMILES: CC1=CC2=C(C=C3C=CCC([C@@H]3CC2=O)(C)C)C=C1O

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