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2050-09-1

2050-09-1 structural image
Product Name: ISOPENTYL VALERATE
Formula: C10H20O2
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 185.00 to 186.00 °C. @ 760.00 mm Hg
Kovats Retention Index 1090 1104 1130 1132 1132 1134 1132 1138 1138 1133 1134 1134 1134

COMPUTED DESCRIPTORS

Molecular Weight 172.26 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 7
Exact Mass 172.146329876 g/mol
Monoisotopic Mass 172.146329876 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 119
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

3-Methylbutyl pentanoate is a fatty acid ester.