Asperilin

Base Information

• Chemical Name: Asperilin
• CAS No.: 7044-35-1
• Molecular Formula: C15H20O3
• Molecular Weight: 248.3175
• NSC Number: 85238
• DSSTox Substance ID: DTXSID80292744
• Nikkaji Number: J39.333I
• Wikidata: Q82031174
• Metabolomics Workbench ID: 129972
• ChEMBL ID: CHEMBL272445
• Mol file: 7044-35-1.mol

Synonyms:Asperilin;7044-35-1;NSC85238;CHEMBL272445;DTXSID80292744;NSC-85238;NCI60_041872

Chemical Property of Asperilin

Chemical Property:

• Vapor Pressure: 1.35E-08mmHg at 25°C
• Boiling Point: 414.3°Cat760mmHg
• Flash Point: 175.8°C
• PSA: 46.53000
• Density: 1.16g/cm³
• LogP: 2.21140
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 248.14124450
• Heavy Atom Count: 18
• Complexity: 439

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC3C(CC1C(=C)CCC2O)C(=C)C(=O)O3
• Isomeric SMILES: C[C@@]12C[C@@H]3[C@H](C[C@H]1C(=C)CC[C@H]2O)C(=C)C(=O)O3

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