Methyl 4-(4-hydroxy-3-oxo-butyl)sulfanylbenzoate
methyl 4-(4-hydroxy-3-oxobutyl)sulfanylbenzoate
Also Known As: 1-pyrenemethylbutanoate|methyl 4-(4-hydroxy-3-oxobutyl)sulfanylbenzoate|METHYL 4-(4-HYDROXY-3-OXO-BUTYL)SULFANYLBENZOATE|METHYL 4-[(4-HYDROXY-3-OXOBUTYL)SULFANYL]BENZOATE|Benzoic acid, 4-[(4-hydroxy-3-oxobutyl)thio]-, methyl ester
CAS: 70570-30-8
| Molecular Formula | C12H14O4S |
|---|---|
| Molecular Weight | 254.06128 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.06128 |
| Monoisotopic Mass | 254.06128 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 70570-30-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)SCCC(=O)CO |
| InChIKey | CYSVCETXGOUITH-UHFFFAOYSA-N |
Product Overview
Methyl 4-(4-hydroxy-3-oxo-butyl)sulfanylbenzoate (CAS 70570-30-8), with molecular formula C12H14O4S and molecular weight 254.06128 g/mol. IUPAC: methyl 4-(4-hydroxy-3-oxobutyl)sulfanylbenzoate.
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.
View MSDS →
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