Humulinic acid

Base Information

• Chemical Name: Humulinic acid
• CAS No.: 520-40-1
• Molecular Formula: C15H22 O4
• Molecular Weight: 266.33
• DSSTox Substance ID: DTXSID40966333
• Nikkaji Number: J105.095H
• Mol file: 520-40-1.mol

Synonyms:humulinic acid

Chemical Property of Humulinic acid

Chemical Property:

• Vapor Pressure: 4.94E-09mmHg at 25°C
• Melting Point: 92 °C
• Boiling Point: 425.7°Cat760mmHg
• PKA: 4.50±1.00(Predicted)
• Flash Point: 225.4°C
• PSA: 77.76000
• Density: 1.211g/cm³
• LogP: 2.95660
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 266.15180918
• Heavy Atom Count: 19
• Complexity: 463

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=O)C1=C(C(C(=C1O)CC=C(C)C)O)O

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