CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Light red crystalline solid; [Sigma-Aldrich MSDS] |
|---|---|
| Melting Point | 161 - 163 °C |
| Solubility | >28.7 [ug/mL] (The mean of the results at pH 7.4) |
| Collision Cross Section | 140.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Chemical Classes | Pesticides -> Plant Growth Regulators |
COMPUTED DESCRIPTORS
| Molecular Weight | 191.18 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 191.058243149 g/mol |
| Monoisotopic Mass | 191.058243149 g/mol |
| Topological Polar Surface Area | 73.3 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 231 |
| 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
(5-hydroxyindol-3-yl)acetic acid is a member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5. It has a role as a drug metabolite, a human metabolite and a mouse metabolite. It is a conjugate acid of a (5-hydroxyindol-3-yl)acetate.