ChemSpider 2D Image | 3-(3-Nitrophenyl)-5,6-dihydro-1,4-oxathiine-2-carboxylic acid | C11H9NO5S

3-(3-Nitrophenyl)-5,6-dihydro-1,4-oxathiine-2-carboxylic acid

  • Molecular FormulaC11H9NO5S
  • Average mass267.258 Da
  • Monoisotopic mass267.020142 Da
  • ChemSpider ID21848545

More details:

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

1,4-Oxathiin-2-carboxylic acid, 5,6-dihydro-3-(3-nitrophenyl)- [ACD/Index Name]
3-(3-Nitrophenyl)-5,6-dihydro-1,4-oxathiin-2-carbonsäure [German] [ACD/IUPAC Name]
3-(3-Nitrophenyl)-5,6-dihydro-1,4-oxathiine-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-(3-nitrophényl)-5,6-dihydro-1,4-oxathiine-2-carboxylique [French] [ACD/IUPAC Name]
1018165-64-4 [RN]
5-(3-nitrophenyl)-2,3-dihydro-1,4-oxathiin-6-carboxylic acid
c11h9no5s

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

Density: 1.5±0.1 g/cm3
Boiling Point: 428.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 212.9±28.7 °C
Index of Refraction: 1.666
Molar Refractivity: 64.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 12.05
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 71.0±3.0 dyne/cm
Molar Volume: 174.5±3.0 cm3

Click to predict properties on the Chemicalize site


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