ChemSpider 2D Image | USTUSORANE C | C16H18O4

USTUSORANE C

  • Molecular FormulaC16H18O4
  • Average mass274.312 Da
  • Monoisotopic mass274.120514 Da
  • ChemSpider ID24675634

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(7R,9S)-2-Isopropyliden-9-methoxy-7-methyl-6,9-dihydro-7H-furo[3,2-h]isochromen-3(2H)-on [German] [ACD/IUPAC Name]
(7R,9S)-2-Isopropylidene-9-methoxy-7-methyl-6,9-dihydro-7H-furo[3,2-h]isochromen-3(2H)-one [ACD/IUPAC Name]
(7R,9S)-2-Isopropylidène-9-méthoxy-7-méthyl-6,9-dihydro-7H-furo[3,2-h]isochromén-3(2H)-one [French] [ACD/IUPAC Name]
7H-Furo[3,2-h][2]benzopyran-3(2H)-one, 6,9-dihydro-9-methoxy-7-methyl-2-(1-methylethylidene)-, (7R,9S)- [ACD/Index Name]
USTUSORANE C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 408.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 181.0±28.8 °C
Index of Refraction: 1.569
Molar Refractivity: 73.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.82
ACD/KOC (pH 5.5): 696.93
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.82
ACD/KOC (pH 7.4): 696.93
Polar Surface Area: 45 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 225.0±5.0 cm3

Click to predict properties on the Chemicalize site


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