5928-25-6
Product Name:
Decursin
Formula:
C19H20O5
Synonyms:
(+)-Decursin;(7S)-7,8-Dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo[1,2-b:5,4-b′]dipyran-7-yl 3-methyl-2-butenoate;3-Methyl-2-butenoic acid (7S)-7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-pyrano[3,2-g]-1-benzopyran-7-yl ester
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COMPUTED DESCRIPTORS
Molecular Weight | 328.4 g/mol |
---|---|
XLogP3 | 3.9 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Exact Mass | 328.13107373 g/mol |
Monoisotopic Mass | 328.13107373 g/mol |
Topological Polar Surface Area | 61.8 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 585 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 1 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Decursin is a member of coumarins.