Compound C16H14O3S
2-[4-(1,3-benzoxathiol-2-yl)phenyl]propanoic acid
CAS: 52787-33-4
| Molecular Formula | C16H14O3S |
|---|---|
| Molecular Weight | 286.3 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 71.8 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.06638 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 52787-33-4 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)C2OC3=CC=CC=C3S2)C(=O)O |
| InChIKey | IGPHQHDMKZAZHP-UHFFFAOYSA-N |
📖 Product Overview
Compound C16H14O3S (CAS: 52787-33-4) is a chemical compound with molecular formula C16H14O3S and molecular weight 286.3 g/mol. Its IUPAC systematic name is 2-[4-(1,3-benzoxathiol-2-yl)phenyl]propanoic acid.
IGPHQHDMKZAZHP-UHFFFAOYSA-N.
SMILES: CC(C1=CC=C(C=C1)C2OC3=CC=CC=C3S2)C(=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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