4-methyl-3-(1H-pyrrol-1-yl)benzoic acid

Base Information

• Chemical Name: 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid
• CAS No.: 593272-75-4
• Molecular Formula: C₁₂H₁₁NO₂
• Molecular Weight: 201.225
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10358226
• Wikidata: Q82138649
• Mol file: 593272-75-4.mol

Synonyms:4-methyl-3-(1H-pyrrol-1-yl)benzoic acid;593272-75-4;4-Methyl-3-pyrrol-1-yl-benzoic acid;4-methyl-3-pyrrol-1-ylbenzoic acid;TimTec1_007649;DTXSID10358226;HMS1555L15;BBL030179;MFCD03923237;STK192250;AKOS000103734;CCG-117313;SB62342;IDI1_033303;NCGC00320319-01;4-methyl-3-(1H-pyrrol-1-yl)benzoicacid;VS-09661;FT-0736454;EN300-26229;E83324;AB00289915-04;4-methyl-3-pyrrol-1-yl-benzoic acid, AldrichCPR;Z57357833

Chemical Property of 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid

Chemical Property:

• Vapor Pressure: 5.3E-07mmHg at 25°C
• Refractive Index: 1.587
• Boiling Point: 396.6°C at 760 mmHg
• Flash Point: 193.7°C
• PSA: 42.23000
• Density: 1.16g/cm³
• LogP: 2.48390
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

98%min ^*data from raw suppliers

4-methyl-3-(1H-pyrrol-1-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)O)N2C=CC=C2