≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC(=CC=C4)O)C(=O)O |
|---|---|
| IUPAC Name | 1-(3-hydroxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid |
| InChIKey | KLUQZQYGFCCIQN-UHFFFAOYSA-N |
| INCHI | 1S/C18H16N2O3/c21-11-5-3-4-10(8-11)16-17-13(9-15(20-16)18(22)23)12-6-1-2-7-14(12)19-17/h1-8,15-16,19-21H,9H2,(H,22,23) |
| Molecular Weight | 308.300 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Class | Harmala alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Harmala alkaloids |
| Alternative Parents | Beta carbolines 3-alkylindoles Alpha amino acids 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Amino acids Dialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Harman - Pyridoindole - Beta-carboline - Alpha-amino acid - 3-alkylindole - Alpha-amino acid or derivatives - Indole or derivatives - Indole - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole. |
| External Descriptors | Not available |
| Molecular Weight | 308.300 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 308.116 Da |
| Monoisotopic Mass | 308.116 Da |
| Topological Polar Surface Area | 85.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 458.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![1-(3-hydroxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid - ≥97% CAS No(347860-69-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/9/H928883.jpg)