Found 22 results

Search term: MF = 'C_{9}H_{10}O_{7}S'
ChemSpider 2D Image | (2E)-2-{4-[(Methylsulfonyl)oxy]-1-butyn-1-yl}-2-butenedioic acid | C9H10O7S

(2E)-2-{4-[(Methylsulfonyl)oxy]-1-butyn-1-yl}-2-butenedioic acid

  • Molecular FormulaC9H10O7S
  • Average mass262.237 Da
  • Monoisotopic mass262.014709 Da
  • ChemSpider ID95161347

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{4-[(Methylsulfonyl)oxy]-1-butin-1-yl}-2-butendisäure [German] [ACD/IUPAC Name]
(2E)-2-{4-[(Methylsulfonyl)oxy]-1-butyn-1-yl}-2-butenedioic acid [ACD/IUPAC Name]
2-Butenedioic acid, 2-[4-[(methylsulfonyl)oxy]-1-butyn-1-yl]-, (2E)- [ACD/Index Name]
Acide (2E)-2-{4-[(méthylsulfonyl)oxy]-1-butyn-1-yl}-2-butènedioïque [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: 544.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 282.8±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 55.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -4.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 73.0±3.0 dyne/cm
Molar Volume: 170.5±3.0 cm3

Click to predict properties on the Chemicalize site


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