ChemSpider 2D Image | (3E)-4-(6,8-Dihydroxy-3-methyl-1-oxo-1H-isochromen-7-yl)-2-methoxy-3-butenoic acid | C15H14O7

(3E)-4-(6,8-Dihydroxy-3-methyl-1-oxo-1H-isochromen-7-yl)-2-methoxy-3-butenoic acid

  • Molecular FormulaC15H14O7
  • Average mass306.267 Da
  • Monoisotopic mass306.073944 Da
  • ChemSpider ID22842353

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-4-(6,8-Dihydroxy-3-methyl-1-oxo-1H-isochromen-7-yl)-2-methoxy-3-butenoic acid [ACD/IUPAC Name]
(3E)-4-(6,8-Dihydroxy-3-methyl-1-oxo-1H-isochromen-7-yl)-2-methoxy-3-butensäure [German] [ACD/IUPAC Name]
3-Butenoic acid, 4-(6,8-dihydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)-2-methoxy-, (3E)- [ACD/Index Name]
Acide (3E)-4-(6,8-dihydroxy-3-méthyl-1-oxo-1H-isochromén-7-yl)-2-méthoxy-3-buténoïque [French] [ACD/IUPAC Name]
(E)-4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybut-3-enoic acid
Compound NP-001050

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

Density: 1.5±0.1 g/cm3
Boiling Point: 638.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 242.8±25.0 °C
Index of Refraction: 1.661
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.31
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 69.8±3.0 dyne/cm
Molar Volume: 207.3±3.0 cm3

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