2-(2-oxobenzo[cd]indol-1(2H)-yl)propanoic acid

Base Information

• Chemical Name: 2-(2-oxobenzo[cd]indol-1(2H)-yl)propanoic acid
• CAS No.: 838850-72-9
• Molecular Formula: C14H11NO3
• Molecular Weight: 241.24
• DSSTox Substance ID: DTXSID80388090
• ChEMBL ID: CHEMBL1499086
• Mol file: 838850-72-9.mol

Synonyms:2-(2-oxobenzo[cd]indol-1(2H)-yl)propanoic acid;838850-72-9;2-(2-oxobenzo[cd]indol-1-yl)propanoic acid;CHEMBRDG-BB 7991949;HMS1600E02;SMR000082813;MLS000066765;CHEMBL1499086;DTXSID80388090;HMS2277C20;MFCD06633017;AKOS000390599;AKOS017269644;BS-36112;2-(2-oxobenzo[cd]indol-1(2H)-yl)propanoicacid;SR-01000301653;SR-01000301653-1;2-{3-OXO-2-AZATRICYCLO[6.3.1.0?,(1)(2)]DODECA-1(12),4,6,8,10-PENTAEN-2-YL}PROPANOIC ACID

Chemical Property of 2-(2-oxobenzo[cd]indol-1(2H)-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 8.27E-11mmHg at 25°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 241.07389321
• Heavy Atom Count: 18
• Complexity: 381

Purity/Quality:

2-(2-oxobenzo[cd]indol-1(2H)-yl)propanoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)O)N1C2=CC=CC3=C2C(=CC=C3)C1=O