Xanthoascin

Base Information

• Chemical Name: Xanthoascin
• CAS No.: 61391-08-0
• Molecular Formula: C23H20 N2 O2
• Molecular Weight: 0
• UNII: J2251719T3
• Nikkaji Number: J20.205C
• Wikidata: Q27281038
• Mol file: 61391-08-0.mol

Synonyms:1-(4-hydroxyphenyl)-4-(2,2-dimethyl-6-chromanyl)- 2,3-diisocyano-1,3-butadiene;xanthoascin

Chemical Property of Xanthoascin

Chemical Property:

• PSA: 29.46000
• LogP: 4.17780
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 356.152477885
• Heavy Atom Count: 27
• Complexity: 694

Purity/Quality:

99% ^*data from raw suppliers

XANTHOASCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2=C(O1)C=CC(=C2)C=C(C(=CC3=CC=C(C=C3)O)[N+]#[C-])[N+]#[C-])C
• Isomeric SMILES: CC1(CCC2=C(O1)C=CC(=C2)/C=C(/C(=C/C3=CC=C(C=C3)O)/[N+]#[C-])\[N+]#[C-])C

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