methyl (4Z)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate

Base Information

• Chemical Name: methyl (4Z)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate
• CAS No.: 6132-61-2
• Molecular Formula: C9H10 Cl3 Hg N O3 S
• Molecular Weight: 380.3939
• DSSTox Substance ID: DTXSID90417502
• Wikidata: Q82227467
• Mol file: 6132-61-2.mol

Synonyms:6132-61-2;methyl (4Z)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate;BAS 02060250;DTXSID90417502;AKOS000610333;BIM-0046956.P001

Chemical Property of methyl (4Z)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate

Chemical Property:

• Vapor Pressure: 5.81E-16mmHg at 25°C
• Boiling Point: 619.9°Cat760mmHg
• Flash Point: 328.7°C
• Density: 1.335g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 380.13722174
• Heavy Atom Count: 28
• Complexity: 672

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC2=C(C(=CC=C2)OC)O)C(=O)N1CC3=CN=CC=C3)C(=O)OC
• Isomeric SMILES: CC1=C(/C(=C/C2=C(C(=CC=C2)OC)O)/C(=O)N1CC3=CN=CC=C3)C(=O)OC