3-Deoxysappanone B
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3-Deoxysappanone B
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CAS No:
113122-54-6
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Formula:
C16H14O5
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Chemical Name:
3-Deoxysappanone B
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Synonyms:
3-Deoxysappanone B
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CAS No:
Characteristics
86.99000
2.61
1.450±0.06 g/cm3(Predicted)
587.4±50.0 °C(Predicted)
225.0±23.6 °C
1.684
Computed Properties
Molecular Weight:286.28
XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:286.08412354
Monoisotopic Mass:286.08412354
Topological Polar Surface Area:87
Heavy Atom Count:21
Complexity:385
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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