(3-Butyryl-1H-indol-1-yl)acetic acid

Base Information

• Chemical Name: (3-Butyryl-1H-indol-1-yl)acetic acid
• CAS No.: 892676-98-1
• Molecular Formula: C14H15NO3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20407375
• Wikidata: Q82212627
• Mol file: 892676-98-1.mol

Synonyms:892676-98-1;(3-Butyryl-1H-indol-1-yl)acetic acid;2-(3-butanoylindol-1-yl)acetic Acid;2-(3-Butyryl-1H-indol-1-yl)acetic acid;CHEMBRDG-BB 9072054;DTXSID20407375;MFCD08676634;AKOS000111885;BS-35991;CS-0358590

Chemical Property of (3-Butyryl-1H-indol-1-yl)acetic acid

Chemical Property:

• Vapor Pressure: 2.52E-09mmHg at 25°C
• Boiling Point: 461.8°C at 760 mmHg
• Flash Point: 233.1°C
• Density: 1.2g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 245.10519334
• Heavy Atom Count: 18
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=CN(C2=CC=CC=C21)CC(=O)O