4-[(4E)-4-(indol-1-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]benzoic acid

Base Information

• Chemical Name: 4-[(4E)-4-(indol-1-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]benzoic acid
• CAS No.: 100039-63-2
• Molecular Formula: C20H15 N3 O3
• Molecular Weight: 0
• Wikidata: Q76156157
• Mol file: 100039-63-2.mol

Synonyms:100039-63-2;4-[(4E)-4-(indol-1-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]benzoic acid;4-[(4E)-4-(INDOL-1-YLMETHYLIDENE)-2-METHYL-5-OXO-IMIDAZOL-1-YL]BENZOIC ACID;Benzoic acid, 4-(4,5-dihydro-4-(1H-indolylmethylene)-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-;LS-36998

Chemical Property of 4-[(4E)-4-(indol-1-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]benzoic acid

Chemical Property:

• Vapor Pressure: 2.05E-09mmHg at 25°C
• Boiling Point: 464.2°Cat760mmHg
• Flash Point: 234.5°C
• PSA: 74.90000
• Density: 1.34g/cm³
• LogP: 3.10370
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 345.11134135
• Heavy Atom Count: 26
• Complexity: 649

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CN2C=CC3=CC=CC=C32)C(=O)N1C4=CC=C(C=C4)C(=O)O
• Isomeric SMILES: CC1=N/C(=C/N2C=CC3=CC=CC=C32)/C(=O)N1C4=CC=C(C=C4)C(=O)O