≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
3-Indoleacetic acid-d 5 is the deuterium labeled 3-Indoleacetic acid. 3-Indoleacetic acid-d 5 can be used as internal standard for assay of IAA releases by alkaline hydrolysis of ester and amide conjugates.
Form:Solid
| Canonical Smiles | C1=CC=C2C(=C1)C(=CN2)CC(=O)O |
|---|---|
| IUPAC Name | 2-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)acetic acid |
| InChIKey | SEOVTRFCIGRIMH-SNOLXCFTSA-N |
| INCHI | 1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i1D,2D,3D,4D,6D |
| Isomeric SMILES | [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])CC(=O)O)[2H])[2H] |
| Molecular Weight | 180.21 |
| Reaxy-Rn | 143358 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=143358&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolyl carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indole-3-acetic acid derivatives |
| Alternative Parents | 3-alkylindoles Substituted pyrroles Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole-3-acetic acid derivative - 3-alkylindole - Indole - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. |
| External Descriptors | Not available |
| Solubility | DMSO : 100 mg/mL (554.91 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 180.210 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 180.095 Da |
| Monoisotopic Mass | 180.095 Da |
| Topological Polar Surface Area | 53.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| Isotope Atom Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
