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62486-72-0

62486-72-0 structural image
Product Name: 7-Deoxypharbitic acid
Formula: C22H24O8S
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COMPUTED DESCRIPTORS

Molecular Weight 448.5 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 1
Exact Mass 448.11918889 g/mol
Monoisotopic Mass 448.11918889 g/mol
Topological Polar Surface Area 156 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 1030
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes