Compound C16H12O3S
2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid
CAS: 61220-69-7
| Molecular Formula | C16H12O3S |
|---|---|
| Molecular Weight | 284.3 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 79.7 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.05072 |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 61220-69-7 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)O |
| InChIKey | KLIVRBFRQSOGQI-UHFFFAOYSA-N |
📖 Product Overview
Compound C16H12O3S (CAS: 61220-69-7) is a chemical compound with molecular formula C16H12O3S and molecular weight 284.3 g/mol. Its IUPAC systematic name is 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid.
KLIVRBFRQSOGQI-UHFFFAOYSA-N.
SMILES: C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)O.
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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