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50927-97-4

50927-97-4 structural image
Product Name: Oxypeucedanin methnolate
Formula: C17H18O6
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2760

COMPUTED DESCRIPTORS

Molecular Weight 318.32 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 318.11033829 g/mol
Monoisotopic Mass 318.11033829 g/mol
Topological Polar Surface Area 78.1 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 474
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