Methyl 3,3-dimethyl-2-(4-fluoro-3-methylbenzoyl)-5-oxohexanoate

Base Information

• Chemical Name: Methyl 3,3-dimethyl-2-(4-fluoro-3-methylbenzoyl)-5-oxohexanoate
• CAS No.: 131113-95-6
• Molecular Formula: C₁₇H₂₁FO₄
• Molecular Weight: 308.35
• DSSTox Substance ID: DTXSID201143831

Synonyms:SCHEMBL9660064;AUTLJRKDLGIVMC-UHFFFAOYSA-N;DTXSID201143831;Methyl 3,3-dimethyl-2-(4-fluoro-3-methylbenzoyl)-5-oxohexanoate;131113-95-6;Methyl 3.3-dimethyl-2-(4-fluoro-3-methylbenzovl)-5-oxohexanoate

Chemical Property of Methyl 3,3-dimethyl-2-(4-fluoro-3-methylbenzoyl)-5-oxohexanoate

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 308.14238731
• Heavy Atom Count: 22
• Complexity: 444

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• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)C(C(=O)OC)C(C)(C)CC(=O)C)F

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