ChemSpider 2D Image | 3,4-Dihydroxy-2-(7-hydroxy-9-methoxy-3,4-dioxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)butanal | C17H16O8

3,4-Dihydroxy-2-(7-hydroxy-9-methoxy-3,4-dioxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)butanal

  • Molecular FormulaC17H16O8
  • Average mass348.304 Da
  • Monoisotopic mass348.084503 Da
  • ChemSpider ID30790985

More details:

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

3,4-Dihydroxy-2-(7-hydroxy-9-methoxy-3,4-dioxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)butanal [German] [ACD/IUPAC Name]
3,4-Dihydroxy-2-(7-hydroxy-9-methoxy-3,4-dioxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-6-yl)butanal [ACD/IUPAC Name]
3,4-Dihydroxy-2-(7-hydroxy-9-méthoxy-3,4-dioxo-1,2,3,4-tétrahydrocyclopenta[c]chromén-6-yl)butanal [French] [ACD/IUPAC Name]
Benzo[b]cyclopenta[d]pyran-6-acetaldehyde, α-(1,2-dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxo- [ACD/Index Name]
α-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde
??-(1,2-dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde
3,4-dihydroxy-2-{7-hydroxy-9-methoxy-3,4-dioxo-1H,2H,3H,4H-cyclopenta[c]chromen-6-yl}butanal
3,4-dihydroxy-2-{7-hydroxy-9-methoxy-3,4-dioxo-1H,2H-cyclopenta[c]chromen-6-yl}butanal
a-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde
C19592

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 735.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 273.5±26.4 °C
Index of Refraction: 1.662
Molar Refractivity: 81.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.47
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.13
Polar Surface Area: 130 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 82.4±5.0 dyne/cm
Molar Volume: 220.8±5.0 cm3

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