ChemSpider 2D Image | Xanthocillin | C18H12N2O2


  • Molecular FormulaC18H12N2O2
  • Average mass288.300 Da
  • Monoisotopic mass288.089874 Da
  • ChemSpider ID21106491
  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-[(1E,3Z)-4-(4-Hydroxyphenyl)-2,3-diisocyano-1,3-butadien-1-yl]phenol [ACD/IUPAC Name]
4-[(1E,3Z)-4-(4-Hydroxyphenyl)-2,3-diisocyano-1,3-butadien-1-yl]phenol [German] [ACD/IUPAC Name]
4-[(1E,3Z)-4-(4-Hydroxyphényl)-2,3-diisocyano-1,3-butadién-1-yl]phénol [French] [ACD/IUPAC Name]
Phenol, 4-[(1E,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyano-1,3-butadien-1-yl]- [ACD/Index Name]
Xanthocillin [Wiki]
Xantocillin [INN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 49 Å2
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site