2-(Isoindolin-2-yl)acetic acid

Base Information

• Chemical Name: 2-(Isoindolin-2-yl)acetic acid
• CAS No.: 363165-80-4
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.203
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00359267
• Nikkaji Number: J1.557.095D
• ChEMBL ID: CHEMBL2299137
• Mol file: 363165-80-4.mol

Synonyms:363165-80-4;2-(Isoindolin-2-yl)acetic acid;2-(2,3-dihydro-1H-isoindol-2-yl)acetic acid;2-(1,3-dihydroisoindol-2-yl)acetic acid;2H-Isoindole-2-acetic acid, 1,3-dihydro-;(1,3-Dihydro-isoindol-2-yl)-acetic acid;2-(Isoindolin-2-yl)aceticacid;1,3-DIHYDRO-2H-ISOINDOL-2-YLACETIC ACID;CHEMBL2299137;SCHEMBL13088961;DTXSID00359267;HMS1695I05;AKOS000303232;SB65958;(1,3-Dihydro-2H-isoindol-2-yl)acetic acid;CS-0029931;FT-0753926;EN300-51545;Z57335261

Chemical Property of 2-(Isoindolin-2-yl)acetic acid

Chemical Property:

• Vapor Pressure: 0.000163mmHg at 25°C
• Boiling Point: 317.3°C at 760 mmHg
• PKA: 2.43±0.10(Predicted)
• Flash Point: 145.7°C
• PSA: 40.54000
• Density: 1.249g/cm³
• LogP: 1.02470
• Storage Temp.: 2-8°C
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

98% ^*data from raw suppliers

2-(2,3-dihydro-1H-isoindol-2-yl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2CN1CC(=O)O