Product Application：
Reactant for preparation of substituted indole derivatives as histamine H3 antagonists Reactant for preparation of potent and selective inhibitors of human reticulocyte 15-lipoxygenase-1 Reactant for preparation of inhibitors of Gli1-mediated transcription in Hedgehog pathway Reactant for preparation of pyridinyl carboxylates as SARS-CoV 3CL proinhibitors Reactant for preparation of substituted bipiperidinylmethyl amides as CCR3 membrane binding ligands Reactant for preparation of indole amide hydroxamic acids as potent inhibitors of histone deacetylases Reactant for preparation of 2-[[[4′-chloro-[1,1-biphenyl]-4-yl]thio]methyl]-N-hydroxybutanamide derivatives as specific metalloproteinase
| Pubchem Sid | 488190575 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488190575 |
| Canonical Smiles | C1=CC(=C2C=CNC2=C1)C(=O)O |
| IUPAC Name | 1H-indole-4-carboxylic acid |
| InChIKey | ROGHUJUFCRFUSO-UHFFFAOYSA-N |
| INCHI | 1S/C9H7NO2/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,(H,11,12) |
| Isomeric SMILES | C1=CC(=C2C=CNC2=C1)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 161.16 |
| Beilstein | 22(5)3,43 |
| Reaxy-Rn | 129484 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129484&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 | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids |
| Alternative Parents | Indoles Benzenoids Pyrroles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid - Indole - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - 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 indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2208847 | Certificate of Analysis | Jun 11, 2026 | I124846 |
| I2208848 | Certificate of Analysis | Jun 11, 2026 | I124846 |
| I2208968 | Certificate of Analysis | Jun 11, 2026 | I124846 |
| G2403598 | Certificate of Analysis | Apr 12, 2024 | I124846 |
| H1612039 | Certificate of Analysis | Apr 07, 2024 | I124846 |
| D2315392 | Certificate of Analysis | Jun 21, 2022 | I124846 |
| Melt Point(°C) | 209.0 ~214.0℃ |
|---|---|
| Molecular Weight | 161.160 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 161.048 Da |
| Monoisotopic Mass | 161.048 Da |
| Topological Polar Surface Area | 53.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| Isotope Atom Count | 0 |
| 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 |
