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5845-66-9

5845-66-9 structural image
Product Name: 3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
Formula: C11H12N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 220.22 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 220.08479225 g/mol
Monoisotopic Mass 220.08479225 g/mol
Topological Polar Surface Area 78.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 285
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

(S)-3-(4-hydroxybenzyl)piperazine-2,5-dione is a natural product found in Bacillus subtilis with data available.