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7415-78-3

7415-78-3 structural image
Product Name: BETA-HYDROXYISOVALERYLSHIKONIN
Formula: C21H24O7
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COMPUTED DESCRIPTORS

Molecular Weight 388.4 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 7
Exact Mass 388.15220310 g/mol
Monoisotopic Mass 388.15220310 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 700
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes