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33431-38-8

33431-38-8 structural image
Product Name: 6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOIC ACID METHYL ESTER
Formula: C17H20O6
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COMPUTED DESCRIPTORS

Molecular Weight 320.3 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 320.12598835 g/mol
Monoisotopic Mass 320.12598835 g/mol
Topological Polar Surface Area 93.1 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 486
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes