3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid

Base Information

• Chemical Name: 3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
• CAS No.: 101004-93-7
• Molecular Formula: C13H15NO3
• Molecular Weight: 233.26
• DSSTox Substance ID: DTXSID501179655
• Mol file: 101004-93-7.mol

Synonyms:101004-93-7;3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid;3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid;3-Methyl-2-(1-oxoisoindolin-2-yl)butanoic acid;3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid;2H-Isoindole-2-acetic acid, 1,3-dihydro-alpha-(1-methylethyl)-1-oxo-;Oprea1_583491;SCHEMBL16266923;JULAETYRRYJIAR-UHFFFAOYSA-N;3-Methyl-2-(1-oxo-1,3-dihydro-isoindol-2-yl)-butyric acid;DTXSID501179655;BEA00493;MFCD00664642;AKOS000266616;AKOS016143004;SB65387;3-Methyl-2-(1-oxoisoindolin-2-yl)butanoicacid;8L-016;EN300-297112;2H-Isoindole-2-acetic acid, 1,3-dihydro--(1-methylethyl)-1-oxo-;1,3-Dihydro-alpha-(1-methylethyl)-1-oxo-2H-isoindole-2-acetic acid;3-Methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid, AldrichCPR

Chemical Property of 3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.10519334
• Heavy Atom Count: 17
• Complexity: 327

Purity/Quality:

98%min ^*data from raw suppliers

3-Methyl-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)butanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-50
• Safety Statements: 61

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)N1CC2=CC=CC=C2C1=O