CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Light red crystalline solid; [Sigma-Aldrich MSDS] |
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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 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 191.18 g/mol |
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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.