2-[4-(1H-pyrrole-2-carbonyl)phenyl]propanoic acid

Base Information

• Chemical Name: 2-[4-(1H-pyrrole-2-carbonyl)phenyl]propanoic acid
• CAS No.: 77614-42-7
• Molecular Formula: C14H13 N O3
• Molecular Weight: 243.26
• DSSTox Substance ID: DTXSID10998828
• Mol file: 77614-42-7.mol

Synonyms:77614-42-7;alpha-Methyl-4-(1H-pyrrol-2-ylcarbonyl)benzeneacetic acid;Benzeneacetic acid, alpha-methyl-4-(1H-pyrrol-2-ylcarbonyl)-;2-[4-(1H-pyrrole-2-carbonyl)phenyl]propanoic acid;DTXSID10998828;LS-28956

Chemical Property of 2-[4-(1H-pyrrole-2-carbonyl)phenyl]propanoic acid

Chemical Property:

• Vapor Pressure: 1.29E-08mmHg at 25°C
• Boiling Point: 442.7°C at 760 mmHg
• Flash Point: 221.6°C
• PSA: 70.16000
• Density: 1.276g/cm³
• LogP: 2.43380
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 243.08954328
• Heavy Atom Count: 18
• Complexity: 321

Purity/Quality:

BENZENEACETIC ACID, ALPHA-METHYL-4-(1H-PYRROL-2-YLCARBONYL)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)C(=O)C2=CC=CN2)C(=O)O