Found 71 results

Search term: MF = 'C_{11}H_{8}O_{5}S'
ChemSpider 2D Image | 3-[5-Formyl-2-(methylsulfonyl)phenyl]-2-propynoic acid | C11H8O5S

3-[5-Formyl-2-(methylsulfonyl)phenyl]-2-propynoic acid

  • Molecular FormulaC11H8O5S
  • Average mass252.243 Da
  • Monoisotopic mass252.009247 Da
  • ChemSpider ID94228511

More details:

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

2-Propynoic acid, 3-[5-formyl-2-(methylsulfonyl)phenyl]- [ACD/Index Name]
3-[5-Formyl-2-(methylsulfonyl)phenyl]-2-propinsäure [German] [ACD/IUPAC Name]
3-[5-Formyl-2-(methylsulfonyl)phenyl]-2-propynoic acid [ACD/IUPAC Name]
Acide 3-[5-formyl-2-(méthylsulfonyl)phényl]-2-propynoïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 560.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 292.9±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 58.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -3.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 166.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement