Quadrilineatin

Base Information

• Chemical Name: Quadrilineatin
• CAS No.: 642-27-3
• Molecular Formula: C10H10O4
• Molecular Weight: 194.187
• Hs Code.: 2912499000
• DSSTox Substance ID: DTXSID70487445
• Metabolomics Workbench ID: 103143
• Nikkaji Number: J94.594C
• Wikidata: Q77569493
• Mol file: 642-27-3.mol

Synonyms:Quadrilineatin;642-27-3;5-hydroxy-3-methoxy-4-methylphthalaldehyde;5-Hydroxy-3-methoxy-4-methylbenzene-1,2-dicarbaldehyde;DTXSID70487445;CHEBI:220777

Chemical Property of Quadrilineatin

Chemical Property:

• PSA: 63.60000
• LogP: 1.33420
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C(=C1OC)C=O)C=O)O