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52387-15-2

52387-15-2 structural image
Product Name: (2-METHYL-N-BUTYRYL)SHIKONIN
Formula: C21H24O6
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COMPUTED DESCRIPTORS

Molecular Weight 372.4 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 372.15728848 g/mol
Monoisotopic Mass 372.15728848 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 658
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes