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5875-49-0

5875-49-0 structural image
Product Name: (-)-8-[(S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one
Formula: C15H18O5
Synonyms: 8-[(2S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Environment
GHS09
GHS Hazard Statements H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 278.30 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 278.11542367 g/mol
Monoisotopic Mass 278.11542367 g/mol
Topological Polar Surface Area 76 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 390
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

8-[(2S)-2,3-dihydroxy-3-methylbutyl]-7-methoxychromen-2-one is a natural product found in Aglaia odorata, Phebalium canaliculatum, and other organisms with data available.