ChemSpider 2D Image | (2S)-2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one | C8H7NO4

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

  • Molecular FormulaC8H7NO4
  • Average mass181.145 Da
  • Monoisotopic mass181.037506 Da
  • ChemSpider ID57457978

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
(2S)-2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
(2S)-2,4-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one [French] [ACD/IUPAC Name]
2H-1,4-BENZOXAZIN-3(4H)-ONE, 2,4-DIHYDROXY-, (2S)- [ACD/Index Name]
561298-24-6 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 405.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 198.8±31.5 °C
Index of Refraction: 1.705
Molar Refractivity: 42.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.18
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.88
Polar Surface Area: 70 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 91.1±3.0 dyne/cm
Molar Volume: 108.8±3.0 cm3

Click to predict properties on the Chemicalize site


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