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4676-51-1

4676-51-1 structural image
Product Name: diethyl methylsuccinate
Formula: C9H16O4
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1205

COMPUTED DESCRIPTORS

Molecular Weight 188.22 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 188.10485899 g/mol
Monoisotopic Mass 188.10485899 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 177
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Diethyl methylsuccinate is a fatty acid ester.