CID 3035834

Base Information

• Chemical Name: CID 3035834
• CAS No.: 149471-07-8
• Molecular Formula: C20H18 O5
• Molecular Weight: 338.35
• DSSTox Substance ID: DTXSID70933654
• Mol file: 149471-07-8.mol

Synonyms:isopinnatal

Chemical Property of CID 3035834

Chemical Property:

• Vapor Pressure: 4.02E-14mmHg at 25°C
• Boiling Point: 581.5°Cat760mmHg
• Flash Point: 214.1°C
• PSA: 80.67000
• Density: 1.45g/cm³
• LogP: 2.47030
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 338.11542367
• Heavy Atom Count: 25
• Complexity: 740

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C1C=C4C(=O)C5=C(C=CC(=C5)O)C(=O)C4(C3(C)C=O)O2
• Isomeric SMILES: C[C@]12CC[C@@H]3[C@H]1C=C4C(=O)C5=C(C=CC(=C5)O)C(=O)C4([C@]3(C)C=O)O2