Scoparil
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Scoparil
structure -
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CAS No:
130838-00-5
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Formula:
C27H38O4
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Chemical Name:
Scoparil
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Synonyms:
Scoparil;Scoparinol
- Categories:
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CAS No:
Characteristics
66.76000
6.57
1.11±0.1 g/cm3(Predicted)
544.3±30.0 °C(Predicted)
173.8±18.1 °C
1.560
Computed Properties
Molecular Weight:426.6
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:426.27700969
Monoisotopic Mass:426.27700969
Topological Polar Surface Area:66.8
Heavy Atom Count:31
Complexity:677
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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