ChemSpider 2D Image | Methyl (2E)-4-[(7-hydroxy-2-oxo-2H-chromen-3-yl)amino]-4-oxo-2-butenoate | C14H11NO6

Methyl (2E)-4-[(7-hydroxy-2-oxo-2H-chromen-3-yl)amino]-4-oxo-2-butenoate

  • Molecular FormulaC14H11NO6
  • Average mass289.240 Da
  • Monoisotopic mass289.058624 Da
  • ChemSpider ID57643666

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-[(7-Hydroxy-2-oxo-2H-chromén-3-yl)amino]-4-oxo-2-buténoate de méthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 4-[(7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)amino]-4-oxo-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-4-[(7-hydroxy-2-oxo-2H-chromen-3-yl)amino]-4-oxo-2-butenoate [ACD/IUPAC Name]
Methyl-(2E)-4-[(7-hydroxy-2-oxo-2H-chromen-3-yl)amino]-4-oxo-2-butenoat [German] [ACD/IUPAC Name]
1173888-41-9 [RN]
2-?Butenoic acid, 4-?[(7-?hydroxy-?2-?oxo-?2H-?1-?benzopyran-?3-?yl)?amino]?-?4-?oxo-?, methyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 609.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 322.2±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 70.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.67
ACD/KOC (pH 5.5): 70.11
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 47.65
Polar Surface Area: 102 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 196.8±5.0 cm3

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