Isometachromin

Base Information

• Chemical Name: Isometachromin
• CAS No.: 145401-37-2
• Molecular Formula: C22H30 O4
• Molecular Weight: 358.47
• Nikkaji Number: J510.070D
• Metabolomics Workbench ID: 172316
• Mol file: 145401-37-2.mol

Synonyms:isometachromin

Chemical Property of Isometachromin

Chemical Property:

• Vapor Pressure: 2.19E-11mmHg at 25°C
• Boiling Point: 483.7°Cat760mmHg
• Flash Point: 160.8°C
• PSA: 63.60000
• Density: 1.1g/cm³
• LogP: 4.97970
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 358.21440943
• Heavy Atom Count: 26
• Complexity: 716

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC(C1CCC(=CCC2=C(C(=O)C=C(C2=O)OC)O)C)(C)C
• Isomeric SMILES: CC1=CCCC(C1CC/C(=C/CC2=C(C(=O)C=C(C2=O)OC)O)/C)(C)C