Xanthocillin Y 1

Base Information

• Chemical Name: Xanthocillin Y 1
• CAS No.: 38965-69-4
• Molecular Formula: C18H12N2O3
• Molecular Weight: 304.32
• Hs Code.: 2926909090
• UNII: 8W7HNT795T
• Nikkaji Number: J19.209K
• Wikidata: Q27271114
• Mol file: 38965-69-4.mol

Synonyms:xanthocillin Y 1;XANTHOCILLIN Y1

Chemical Property of Xanthocillin Y 1

Chemical Property:

• Refractive Index: 1.5800 (estimate)
• Boiling Point: 445.13°C (rough estimate)
• PSA: 60.69000
• Density: 1.3014 (rough estimate)
• LogP: 2.48540
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 304.08479225
• Heavy Atom Count: 23
• Complexity: 570

Purity/Quality:

99% ^*data from raw suppliers

XANTHOCILLIN-GAMMA-1 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-]#[N+]C(=CC1=CC=C(C=C1)O)C(=CC2=CC(=C(C=C2)O)O)[N+]#[C-]
• Isomeric SMILES: [C-]#[N+]/C(=C\C1=CC=C(C=C1)O)/C(=C/C2=CC(=C(C=C2)O)O)/[N+]#[C-]