ChemSpider 2D Image | (2Z)-4,6-Dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylene]-1-benzofuran-3(2H)-one | C21H18N2O5

(2Z)-4,6-Dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylene]-1-benzofuran-3(2H)-one

  • Molecular FormulaC21H18N2O5
  • Average mass378.378 Da
  • Monoisotopic mass378.121582 Da
  • ChemSpider ID25058174
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-4,6-Dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylen]-1-benzofuran-3(2H)-on [German] [ACD/IUPAC Name]
(2Z)-4,6-Dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylene]-1-benzofuran-3(2H)-one [ACD/IUPAC Name]
(2Z)-4,6-Dihydroxy-2-[(8-méthoxy-1,2,3,4-tétrahydropyrazino[1,2-a]indol-10-yl)méthylène]-1-benzofuran-3(2H)-one [French] [ACD/IUPAC Name]
(2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one
3(2H)-Benzofuranone, 4,6-dihydroxy-2-[(1,2,3,4-tetrahydro-8-methoxypyrazino[1,2-a]indol-10-yl)methylene]-, (2Z)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 711.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 384.2±32.9 °C
Index of Refraction: 1.730
Molar Refractivity: 98.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.94
Polar Surface Area: 93 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 247.4±7.0 cm3

Click to predict properties on the Chemicalize site






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