4-{[1,3-dioxo-2-(1-phenylethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}benzoic acid

Base Information

• Chemical Name: 4-{[1,3-dioxo-2-(1-phenylethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}benzoic acid
• CAS No.: 5936-73-2
• Molecular Formula: C6H13 N O
• Molecular Weight: 399.3955
• DSSTox Substance ID: DTXSID00386997
• Mol file: 5936-73-2.mol

Synonyms:STK326690;4-(1,3-Dioxo-2-(1-phenylethyl)isoindoline-5-carbonyl)benzoic acid;4-{[1,3-dioxo-2-(1-phenylethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}benzoic acid;313482-86-9;CBMicro_038285;starbld0011203;Oprea1_834937;DTXSID00386997;AKOS001622046;BIM-0038118.P001

Chemical Property of 4-{[1,3-dioxo-2-(1-phenylethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}benzoic acid

Chemical Property:

• Vapor Pressure: 4.11E-17mmHg at 25°C
• Boiling Point: 637.2°C at 760 mmHg
• Flash Point: 339.2°C
• Density: 1.383g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 399.11067264
• Heavy Atom Count: 30
• Complexity: 704

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O