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10352-88-2

10352-88-2 structural image
Product Name: 2-HEPTENOIC ACID
Formula: C7H12O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless liquid; Disagreeable rancid aroma
Boiling Point 224.00 to 228.00 °C. @ 760.00 mm Hg
Solubility Soluble in oils
Density 0.968-0.978
Refractive Index 1.447-1.157
Kovats Retention Index 1107.8

COMPUTED DESCRIPTORS

Molecular Weight 128.17 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 128.083729621 g/mol
Monoisotopic Mass 128.083729621 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 106
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-heptenoic acid is a heptenoic acid with the double bond at position 2. It is a heptenoic acid and an alpha,beta-unsaturated monocarboxylic acid.