CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dry Powder; Liquid; Other Solid |
|---|---|
| Color/Form | Crystals from alcohol |
| Melting Point | 82 °C |
| Solubility | Soluble in alcohol, ether, chloroform; insoluble in water |
| Other Experimental Properties | A C18 straight chain fatty acid with an -OH group attached to the carbon chain; combustible |
| Chemical Classes | Other Classes -> Organic Acids |
COMPUTED DESCRIPTORS
| Molecular Weight | 300.5 g/mol |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 16 |
| Exact Mass | 300.26644501 g/mol |
| Monoisotopic Mass | 300.26644501 g/mol |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 229 |
| 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
12-hydroxyoctadecanoic acid is a hydroxy fatty acid that is stearic acid bearing a hydroxy substituent at position 12. It has a role as a plant metabolite and a bacterial xenobiotic metabolite. It is a hydroxyoctadecanoic acid and a secondary alcohol. It is a conjugate acid of a 12-hydroxyoctadecanoate.