ChemSpider 2D Image | {4-[(E)-(6,7-Dihydroxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]-3-hydroxyphenoxy}acetic acid | C17H12O8

{4-[(E)-(6,7-Dihydroxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]-3-hydroxyphenoxy}acetic acid

  • Molecular FormulaC17H12O8
  • Average mass344.272 Da
  • Monoisotopic mass344.053223 Da
  • ChemSpider ID23212546

  • Double-bond stereo - Double-bond stereo

More details:

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

{4-[(E)-(6,7-Dihydroxy-3-oxo-1-benzofuran-2(3H)-yliden)methyl]-3-hydroxyphenoxy}essigsäure [German] [ACD/IUPAC Name]
{4-[(E)-(6,7-Dihydroxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]-3-hydroxyphenoxy}acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[4-[(E)-(6,7-dihydroxy-3-oxo-2(3H)-benzofuranylidene)methyl]-3-hydroxyphenoxy]- [ACD/Index Name]
Acide {4-[(E)-(6,7-dihydroxy-3-oxo-1-benzofuran-2(3H)-ylidène)méthyl]-3-hydroxyphénoxy}acétique [French] [ACD/IUPAC Name]
{4-[6,7-Dihydroxy-3-oxo-3H-benzofuran-(2E)-ylidenemethyl]-3-hydroxy-phenoxy}-acetic acid
CHEMBL135330

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

Density: 1.7±0.1 g/cm3
Boiling Point: 727.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 272.4±26.4 °C
Index of Refraction: 1.768
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 97.7±3.0 dyne/cm
Molar Volume: 204.3±3.0 cm3

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