3-Hydroxy-3-methylisoindoline-1-one

Base Information

• Chemical Name: 3-Hydroxy-3-methylisoindoline-1-one
• CAS No.: 29879-70-7
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.176
• DSSTox Substance ID: DTXSID101238255
• Nikkaji Number: J470.929B
• Mol file: 29879-70-7.mol

Synonyms:SCHEMBL16098960;DTXSID101238255;1-hydroxy-1-methylisoindolin-3-one;3-Hydroxy-3-methylisoindoline-1-one;29879-70-7;2,3-DIHYDRO-3-HYDROXY-3-METHYL-1H-ISOINDOL-1-ONE

Chemical Property of 3-Hydroxy-3-methylisoindoline-1-one

Chemical Property:

• Melting Point: 111 - 113 °C (ethyl acetate)
• PSA: 49.33000
• LogP: 0.92380
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 217

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MSDS Files:

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2C(=O)N1)O

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