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Name | 2-Acetylthiomethyl-3-(4-Methylbenzoyl)Propionic Acid |
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Synonyms | 2-(Acetylsulfanylmethyl)-4-(4-Methylphenyl)-4-Oxo-Butanoic Acid; 2-[(Acetylthio)Methyl]-4-(4-Methylphenyl)-4-Oxobutanoic Acid; 2-[(Acetylthio)Methyl]-4-Keto-4-(4-Methylphenyl)Butyric Acid |
Molecular Structure | ![]() |
Molecular Formula | C14H16O4S |
Molecular Weight | 280.34 |
CAS Registry Number | 101973-77-7 |
SMILES | C1=C(C(=O)CC(C(=O)O)CSC(=O)C)C=CC(=C1)C |
InChI | 1S/C14H16O4S/c1-9-3-5-11(6-4-9)13(16)7-12(14(17)18)8-19-10(2)15/h3-6,12H,7-8H2,1-2H3,(H,17,18) |
InChIKey | YRSSFEUQNAXQMX-UHFFFAOYSA-N |
Density | 1.241g/cm3 (Cal.) |
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Boiling point | 477.742°C at 760 mmHg (Cal.) |
Flash point | 242.73°C (Cal.) |
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List of Reports Available for 2-Acetylthiomethyl-3-(4-Methylbenzoyl)Propionic Acid |