ChemSpider 2D Image | 3-Benzylidene-2-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid | C16H11NO4

3-Benzylidene-2-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid

  • Molecular FormulaC16H11NO4
  • Average mass281.263 Da
  • Monoisotopic mass281.068817 Da
  • ChemSpider ID28687403

More details:

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

2H-1,4-Benzoxazine-5-carboxylic acid, 3,4-dihydro-2-oxo-3-(phenylmethylene)- [ACD/Index Name]
3-Benzyliden-2-oxo-3,4-dihydro-2H-1,4-benzoxazin-5-carbonsäure [German] [ACD/IUPAC Name]
3-Benzylidene-2-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid [ACD/IUPAC Name]
Acide 3-benzylidène-2-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylique [French] [ACD/IUPAC Name]
143651-44-9 [RN]
2H-1,4-BENZOXAZINE-5-CARBOXYLICACID, 3,4-DIHYDRO-2-OXO-3-(PHENYLMETHYLENE)-, (3Z)-
3-Benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 523.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 270.6±30.1 °C
Index of Refraction: 1.690
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 8.29
ACD/KOC (pH 5.5): 38.20
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.44
Polar Surface Area: 76 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 200.2±3.0 cm3

Click to predict properties on the Chemicalize site


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