33431-38-8
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 |