ChemSpider 2D Image | Phebalosin | C15H14O4

Phebalosin

  • Molecular FormulaC15H14O4
  • Average mass258.269 Da
  • Monoisotopic mass258.089203 Da
  • ChemSpider ID28424324

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 7-methoxy-8-[(2S,3S)-3-(1-methylethenyl)oxiranyl]- [ACD/Index Name]
6545-99-9 [RN]
8-[(2S,3S)-3-Isopropenyl-2-oxiranyl]-7-methoxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
8-[(2S,3S)-3-Isopropenyl-2-oxiranyl]-7-methoxy-2H-chromen-2-one [ACD/IUPAC Name]
8-[(2S,3S)-3-Isopropényl-2-oxiranyl]-7-méthoxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
Phebalosin
2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(1-methylethenyl)oxiranyl)-, trans-
7-methoxy-8-[(2R,3R)-3-prop-1-en-2-yloxiran-2-yl]chromen-2-one
7-Methoxy-8-[(2S,3S)-3-prop-1-en-2-yloxiran-2-yl]chromen-2-one
8-[(2R,3R)-3-isopropenyl-2-oxiranyl]-7-methoxy-2-chromenone
More...

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

UNII-57637245VY [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 418.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 187.7±28.8 °C
Index of Refraction: 1.584
Molar Refractivity: 68.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.07
ACD/KOC (pH 5.5): 407.24
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.07
ACD/KOC (pH 7.4): 407.24
Polar Surface Area: 48 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 205.7±3.0 cm3

Click to predict properties on the Chemicalize site


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