3471-31-6
Product Name:
5-Methoxyindole-3-acetic acid
Formula:
C11H11NO3
Synonyms:
2-(5-Methoxy-3-indolyl)acetic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Collision Cross Section | 144 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 205.21 g/mol |
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XLogP3 | 1.4 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 3 |
Exact Mass | 205.07389321 g/mol |
Monoisotopic Mass | 205.07389321 g/mol |
Topological Polar Surface Area | 62.3 Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 244 |
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-methoxyindole-3-acetic acid is a member of the class of indole-3-acetic acids in which the hydrogen at position 5 of indole-3-acetic acid has been replaced by a methoxy group. It has a role as a Brassica napus metabolite, a human urinary metabolite, an antibacterial agent, a marine xenobiotic metabolite, a carcinogenic agent and a rat metabolite. It is a member of indole-3-acetic acids and an aromatic ether.