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1191-04-4

1191-04-4 structural image
Product Name: TRANS-2-HEXENOIC ACID
Formula: C6H10O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point 217.00 °C. @ 760.00 mm Hg
Melting Point 28.00 to 34.00 °C. @ 760.00 mm Hg
Solubility slightly
Kovats Retention Index 1980 1984 1961.1 1933 1941 1983 1951 1967 1967 1938 2002 1967 1962 1970 1969 1971 1922

COMPUTED DESCRIPTORS

Molecular Weight 114.14 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 114.068079557 g/mol
Monoisotopic Mass 114.068079557 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 94.7
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

(2E)-hexenoic acid is the (E)-stereoisomer of hexenoic acid. It has a role as a metabolite. It is a conjugate acid of a (2E)-hexenoate.