1H-Indole-3-butanoic acid, 2-carboxy-
3-(3-carboxypropyl)-1H-indole-2-carboxylic acid
Also Known As: 2-Carboxyindole-3-butyric acid|4- BUTYRICACID|4-(2-Carboxyindol-3-yl)butyric acid|1H-Indole-3-butanoic acid, 2-carboxy-|3-(3-carboxypropyl)-1H-indole-2-carboxylic acid|2-carboxy-3-indolebutyric acid|Indole-3-butyric acid, 2-carboxy-|2-Carboxy-1H-indole-3-butyric acid|1H-Indole-3-butanoicacid, 2-carboxy-|3-(3-carboxypropyl)-1H-indole-2-carboxylicacid|3-(4-hydroxy-4-oxobutyl)-1H-indole-2-carboxylic acid|250-682-0
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08446 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.08446 |
| Monoisotopic Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 36352-84-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2)C(=O)O)CCCC(=O)O |
| InChIKey | IAFOXRHFSQERNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indole-3-butanoic acid, 2-carboxy- (CAS 36352-84-8), with molecular formula C13H13NO4 and molecular weight 247.08446 g/mol. IUPAC: 3-(3-carboxypropyl)-1H-indole-2-carboxylic acid.
1H-Indole-3-butanoic acid, 2-carboxy- is a custom synthesis product. We offer services from milligram to kilogram scale.
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