Chemical Property of CID 3035834
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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:
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Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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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