CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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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 |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 |
GHS Hazard Statements |
H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 114.14 g/mol |
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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.