Chemical Property of 3-Acetoxyscirpene-4,15-diol
Chemical Property:
- Vapor Pressure:1.93E-10mmHg at 25°C
- Boiling Point:461.1°C at 760 mmHg
- PKA:13.48±0.70(Predicted)
- Flash Point:165.4°C
- PSA:88.52000
- Density:1.34g/cm3
- LogP:0.55410
- XLogP3:-0.4
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:6
- Rotatable Bond Count:3
- Exact Mass:324.15728848
- Heavy Atom Count:23
- Complexity:588
- Purity/Quality:
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(3ALPHA,4BETA)-TRICHOTHEC-9-ENE-3,4,15-TRIOL, 12,13-EPOXY-3-ACETATE 95.00% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)OC(=O)C)O)C)CO
- Isomeric SMILES:CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)O)C)CO