ChemSpider 2D Image | Methyl (2Z,4E)-3-hydroxy-4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-2-butenoate | C9H8O6

Methyl (2Z,4E)-3-hydroxy-4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-2-butenoate

  • Molecular FormulaC9H8O6
  • Average mass212.156 Da
  • Monoisotopic mass212.032089 Da
  • ChemSpider ID24207530

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,4E)-3-Hydroxy-4-(4-hydroxy-5-oxo-2(5H)-furanylidène)-2-buténoate de méthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 3-hydroxy-4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-, methyl ester, (2Z,4E)- [ACD/Index Name]
Methyl (2Z,4E)-3-hydroxy-4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-2-butenoate [ACD/IUPAC Name]
Methyl-(2Z,4E)-3-hydroxy-4-(4-hydroxy-5-oxo-2(5H)-furanyliden)-2-butenoat [German] [ACD/IUPAC Name]
(2Z,4E)-methyl 3-hydroxy-4-(4-hydroxy-5-oxofuran-2(5H)-ylidene)but-2-enoate
2-Butenoic acid, 3-hydroxy-4-(4-hydroxy-5-oxo-2(5H)-furanylidene)-, methyl ester, (2Z,4E)- (9CI)
351069-94-8 [RN]
METHYL (2Z)-3-HYDROXY-4-[(2E)-4-HYDROXY-5-OXOFURAN-2-YLIDENE]BUT-2-ENOATE
Methyl 3-hydroxy-4-(4-hydroxy-5-oxofuran-2(5H)-ylidene)but-2-enoate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 330.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.4±6.0 kJ/mol
Flash Point: 131.6±21.4 °C
Index of Refraction: 1.715
Molar Refractivity: 49.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.31
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 100.2±3.0 dyne/cm
Molar Volume: 125.7±3.0 cm3

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