Hemphac

Base Information

• Chemical Name: Hemphac
• CAS No.: 140631-65-8
• Molecular Formula: C16H16 N2 O4 S
• Molecular Weight: 332.3742
• Mol file: 140631-65-8.mol

Synonyms:6-(2'-hydroxyethylidene)-4-methyl-3-(2-(methylthio)pyridinyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylate;HEMPHAC

Chemical Property of Hemphac

Chemical Property:

• Boiling Point: 598.4°Cat760mmHg
• Flash Point: 315.7°C
• PSA: 116.03000
• Density: 1.49g/cm³
• LogP: 1.32810
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 332.08307817
• Heavy Atom Count: 23
• Complexity: 587

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C(=CCO)C(=O)N2C(=C1SCC3=CC=CC=N3)C(=O)O
• Isomeric SMILES: C[C@@H]1[C@@H]2/C(=C\CO)/C(=O)N2C(=C1SCC3=CC=CC=N3)C(=O)O