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2177-82-4

2177-82-4 structural image
Product Name: METHYL 4-METHYLHEXANOATE
Formula: C8H16O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 982 990.6

COMPUTED DESCRIPTORS

Molecular Weight 144.21 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 144.115029749 g/mol
Monoisotopic Mass 144.115029749 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 99.4
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

Methyl 4-methylhexanoate is a natural product found in Humulus lupulus with data available.