Chemical Property of Ibotalactone A
Chemical Property:
- Vapor Pressure:3.41E-30mmHg at 25°C
- Boiling Point:843.1°C at 760 mmHg
- Flash Point:284.7°C
- PSA：198.51000
- Density:1.56g/cm3
- LogP:-0.33460
- XLogP3:-0.2
- Hydrogen Bond Donor Count:5
- Hydrogen Bond Acceptor Count:13
- Rotatable Bond Count:8
- Exact Mass:536.15299094
- Heavy Atom Count:38
- Complexity:940
- 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:CC1C2C(CC(=O)O1)C(=COC2OC3C(C(C(C(O3)COC(=O)C=CC4=CC=C(C=C4)O)O)O)O)C(=O)O
- Isomeric SMILES:C[C@@H]1[C@@H]2[C@H](CC(=O)O1)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O)O)C(=O)O
