Chemical Property of Daphnetoxin, 12-((1-oxo-3-phenyl-2-propenyl)oxy)-, (12-beta(E))-
Chemical Property:
- Boiling Point:°Cat760mmHg
- Flash Point:°C
- Density:1.46g/cm3
- XLogP3:3.2
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:10
- Rotatable Bond Count:7
- Exact Mass:628.23084734
- Heavy Atom Count:46
- Complexity:1390
- Purity/Quality:
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Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)C=CC8=CC=CC=C8
- Isomeric SMILES:C[C@@H]1[C@H]([C@]2([C@H]3[C@H]4[C@@]1([C@@H]5C=C(C(=O)[C@]5([C@@H]([C@@]6([C@H]4O6)CO)O)O)C)O[C@](O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)/C=C/C8=CC=CC=C8
