Found 1 result

Search term: 23279006 (Found by CSID)
ChemSpider 2D Image | 8,9-Dihydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-6-methoxy-1H,6H-pyrano[4,3-c]isochromen-1-one | C22H18O8

8,9-Dihydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-6-methoxy-1H,6H-pyrano[4,3-c]isochromen-1-one

  • Molecular FormulaC22H18O8
  • Average mass410.374 Da
  • Monoisotopic mass410.100159 Da
  • ChemSpider ID23279006

  • Double-bond stereo - Double-bond stereo

More details:

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

1H,6H-Pyrano[4,3-c][2]benzopyran-1-one, 8,9-dihydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-6-methoxy- [ACD/Index Name]
8,9-dihydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-6-methoxy-1H,6H-pyrano[4,3-c]isochromen-1-one
8,9-Dihydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-6-methoxy-1H,6H-pyrano[4,3-c]isochromen-1-on [German] [ACD/IUPAC Name]
8,9-Dihydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-6-methoxy-1H,6H-pyrano[4,3-c]isochromen-1-one [ACD/IUPAC Name]
8,9-Dihydroxy-3-[(E)-2-(4-hydroxy-3-méthoxyphényl)vinyl]-6-méthoxy-1H,6H-pyrano[4,3-c]isochromén-1-one [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL448733/
methylinoscavin D

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

Density: 1.5±0.1 g/cm3
Boiling Point: 728.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 260.2±26.4 °C
Index of Refraction: 1.710
Molar Refractivity: 104.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.30
ACD/KOC (pH 5.5): 499.06
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.15
ACD/KOC (pH 7.4): 460.99
Polar Surface Area: 115 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 267.0±5.0 cm3

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