CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Boiling Point | 85.50 to 87.50 °C. @ 13.00 mm Hg |
Melting Point | 45 °C |
Solubility | slightly soluble in hot water |
Kovats Retention Index | 919.7 898 |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 |
GHS Hazard Statements |
H290:Corrosive to Metals H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P234:Keep only in original container. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P390:Absorb spillage to prevent material damage. P405:Store locked up. P406:Store in corrosive resistant/… container with a resistant inner liner. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 100.12 g/mol |
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XLogP3 | 1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 1 |
Exact Mass | 100.052429494 g/mol |
Monoisotopic Mass | 100.052429494 g/mol |
Topological Polar Surface Area | 37.3 Ų |
Heavy Atom Count | 7 |
Formal Charge | 0 |
Complexity | 103 |
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
Angelic acid is the (Z)-isomer of 2-methylbut-2-enoic acid. It is found in plant species of the family Apiaceae. It has a role as a plant metabolite. It is functionally related to an isocrotonic acid.