Found 331 results

Search term: MF = 'C_{13}H_{13}NO_{6}S'
ChemSpider 2D Image | (3E)-3-[6-(Ethylsulfonyl)-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene]propanoic acid | C13H13NO6S

(3E)-3-[6-(Ethylsulfonyl)-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene]propanoic acid

  • Molecular FormulaC13H13NO6S
  • Average mass311.310 Da
  • Monoisotopic mass311.046356 Da
  • ChemSpider ID23723742

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-[6-(Ethylsulfonyl)-2-oxo-2H-1,4-benzoxazin-3(4H)-yliden]propansäure [German] [ACD/IUPAC Name]
(3E)-3-[6-(Ethylsulfonyl)-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene]propanoic acid [ACD/IUPAC Name]
Acide (3E)-3-[6-(éthylsulfonyl)-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidène]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[6-(ethylsulfonyl)-2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene]-, (3E)- [ACD/Index Name]
3-(6-Ethanesulfonyl-2-oxo-4H-benzo[1,4]oxazin-3-ylidene)-propionic acid
3-[6-(ethylsulfonyl)-2-oxo-4H-benzo[e]1,4-oxazaperhydroin-3-ylidene]propanoic cid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 629.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 334.2±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 72.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 206.5±3.0 cm3

Click to predict properties on the Chemicalize site


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