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589-40-2

589-40-2 structural image
Product Name: ButylFormate
Formula: C5H10O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 633 640 631 632

COMPUTED DESCRIPTORS

Molecular Weight 102.13 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 102.068079557 g/mol
Monoisotopic Mass 102.068079557 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 52
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

sec-Butyl formate is a natural product found in Mangifera indica with data available.

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