ChemSpider 2D Image | (2S)-2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one | C9H9NO5

(2S)-2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC9H9NO5
  • Average mass211.171 Da
  • Monoisotopic mass211.048065 Da
  • ChemSpider ID24207461

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
(2S)-2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
(2S)-2,4-Dihydroxy-7-méthoxy-2H-1,4-benzoxazin-3(4H)-one [French] [ACD/IUPAC Name]
2H-1,4-Benzoxazin-3(4H)-one, 2,4-dihydroxy-7-methoxy-, (2S)- [ACD/Index Name]
(S)-2,4-dihydroxy-7-methoxy-2H-benzo[b][1,4]oxazin-3(4H)-one
2H-1,4-BENZOXAZIN-3(4H)-ONE, 2,4-DIHYDROXY-7-METHOXY-, (2S)- (9CI)
588716-65-8 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 461.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 232.8±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 49.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.47
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.65
Polar Surface Area: 79 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 78.1±3.0 dyne/cm
Molar Volume: 132.8±3.0 cm3

Click to predict properties on the Chemicalize site


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