Metachromin C

Base Information

• Chemical Name: Metachromin C
• CAS No.: 124596-50-5
• Molecular Formula: C22H30 O4
• Molecular Weight: 358.47
• Nikkaji Number: J510.071B
• Wikidata: Q105234126
• Metabolomics Workbench ID: 138323
• ChEMBL ID: CHEMBL484235
• Mol file: 124596-50-5.mol

Synonyms:metachromin C

Chemical Property of Metachromin C

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: 720

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=CCCC1(C)CCC(=CCC2=C(C(=O)C=C(C2=O)OC)O)C)C
• Isomeric SMILES: C[C@@H]1C(=CCC[C@]1(C)CC/C(=C/CC2=C(C(=O)C=C(C2=O)OC)O)/C)C