3-(1H-indol-3-yl)-2-oxobutanoic acid
3-(1H-indol-3-yl)-2-oxobutanoic acid
Also Known As: 3-Methylindolepyruvate|3-(1H-indol-3-yl)-2-oxobutanoic acid|3-(indol-3-yl)-2-oxobutyric acid|3-(1H-Indole-3-yl)-2-oxobutanoic acid|J2.756.638C
CAS: 21193-60-2
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.0739 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Monoisotopic Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 21193-60-2 |
|---|---|
| SMILES | CC(C1=CNC2=CC=CC=C21)C(=O)C(=O)O |
| InChIKey | VSANSNPZLCXLRK-UHFFFAOYSA-N |
Product Overview
3-(1H-indol-3-yl)-2-oxobutanoic acid (CAS 21193-60-2), with molecular formula C12H11NO3 and molecular weight 217.0739 g/mol. IUPAC: 3-(1H-indol-3-yl)-2-oxobutanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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