Chemical Property of Digitalin
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Chemical Property:
- Vapor Pressure:0mmHg at 25°C
- Melting Point:240-243°
- Refractive Index:1.6130 (estimate)
- Boiling Point:889.4°C at 760 mmHg
- Flash Point:273.6°C
- PSA:214.06000
- Density:1.42g/cm3
- LogP:-0.09480
- Water Solubility.:999mg/L(25 oC)
- XLogP3:-0.3
- Hydrogen Bond Donor Count:7
- Hydrogen Bond Acceptor Count:14
- Rotatable Bond Count:7
- Exact Mass:712.36700646
- Heavy Atom Count:50
- Complexity:1300
- Purity/Quality:
-
99% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC)OC7C(C(C(C(O7)CO)O)O)O
- Isomeric SMILES:C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)O)O)C)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O