CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White odorless solid; [Hawley] White or beige powder; [MSDSonline] |
|---|---|
| Color/Form | Needles from water |
| Odor | Odorless |
| Boiling Point | Decomposes |
| Melting Point | 135 °C |
| Solubility | 420 mg/L (at 20 °C) |
| Vapor Pressure | 0.0000159 [mmHg] |
| LogP | 2.24 |
| Stability/Shelf Life | /Aqueous solution of sodium salt is/ very unstable to UV and sunlight irradiation. /Aqueous solution of sodium salt/ |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Dissociation Constants | 4.23 (at 25 °C) |
| Kovats Retention Index | 1788.2 |
| Other Experimental Properties | Alkali metal and amine salts are readily soluble in water. |
| Chemical Classes | Pesticides -> Plant Growth Regulators |
COMPUTED DESCRIPTORS
| Molecular Weight | 186.21 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 186.068079557 g/mol |
| Monoisotopic Mass | 186.068079557 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 212 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-naphthaleneacetic acid is a naphthylacetic acid substituted by a carboxymethyl group at position 1. It has a role as a synthetic auxin. It is a conjugate acid of a 1-naphthaleneacetate.