Indole-3-(4'-oxo)butyric acid
4-(1H-indol-3-yl)-4-oxobutanoic acid
Also Known As: 4-(1H-indol-3-yl)-4-oxobutanoic acid|Indole-3-(4'-oxo)butyric acid|CBKinase1_000052|CBKinase1_012452|TimTec1_003000|Oprea1_673990|Oprea1_737056|4-indol-3-yl-4-oxobutanoic acid|indole-3-(4'-oxo) butyric acid|4-indol-3-yl-4-oxo-butyric acid|4-oxo-4-(3-indolyl)butyric acid|4-(1h-Indol-3-yl)-4-oxobutanoicacid|CI-170|4-(1H-Indol-3-yl)-4-oxo-butyric acid|INDOLE-3-(4-OXO)BUTYRIC ACID|SDCCGMLS-0006309.P002|4-(1H-Indole-3-yl)-4-oxobutanoic acid|BAS 00547441|4-(1H-indol-3-yl)-4-keto-butyric acid|4-(1H-indol-3-yl)-4-oxo-butanoic acid
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.0739 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.0739 |
| Monoisotopic Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 835-45-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(=O)CCC(=O)O |
| InChIKey | NLUOPJQCFYTMGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indole-3-(4'-oxo)butyric acid (CAS 835-45-0), with molecular formula C12H11NO3 and molecular weight 217.0739 g/mol. IUPAC: 4-(1H-indol-3-yl)-4-oxobutanoic acid.
Indole-3-(4'-oxo)butyric acid is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »