AC1NKJFE
3-[2-(1H-indol-3-yl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: 2-[2-(1H-indol-3-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid|3-[2-(1H-indol-3-yl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid|3-[2-(1H-INDOL-3-YL)ETHYL]-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0(1),?]DEC-8-ENE-6-CARBOXYLIC ACID
CAS: 77960-20-4
| Molecular Formula | C19H18N2O4 |
|---|---|
| Molecular Weight | 338.12665 g/mol |
| LogP | 1.577 |
| Topological Polar Surface Area | 82.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.12665 |
| Monoisotopic Mass | 338.12665 |
| Heavy Atoms | 25 |
| Complexity | 917.0398 |
Chemical Identifiers
| CAS Number | 77960-20-4 |
|---|---|
| SMILES | C1C23C=CC(O2)C(C3C(=O)N1CCC4=CNC5=CC=CC=C54)C(=O)O |
Product Overview
AC1NKJFE (CAS 77960-20-4), with molecular formula C19H18N2O4 and molecular weight 338.12665 g/mol. IUPAC: 3-[2-(1H-indol-3-yl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic 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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