Found 331 results

Search term: MF = 'C_{13}H_{13}NO_{6}S'
ChemSpider 2D Image | 4-Methoxy-3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfonyl}benzoic acid | C13H13NO6S

4-Methoxy-3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfonyl}benzoic acid

  • Molecular FormulaC13H13NO6S
  • Average mass311.310 Da
  • Monoisotopic mass311.046356 Da
  • ChemSpider ID25992827

More details:

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

4-Methoxy-3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfonyl}benzoesäure [German] [ACD/IUPAC Name]
4-Methoxy-3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfonyl}benzoic acid [ACD/IUPAC Name]
Acide 4-méthoxy-3-{[(3-méthyl-1,2-oxazol-5-yl)méthyl]sulfonyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-methoxy-3-[[(3-methyl-5-isoxazolyl)methyl]sulfonyl]- [ACD/Index Name]
1094326-11-0 [RN]
4-METHOXY-3-([(3-METHYL-1,2-OXAZOL-5-YL)METHANE]SULFONYL)BENZOIC ACID
4-methoxy-3-[(3-methyl-1,2-oxazol-5-yl)methanesulfonyl]benzoic acid
4-methoxy-3-{[(3-methyl-1,2-oxazol-5-yl)methane]sulfonyl}benzoic acid
MFCD13195992 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 605.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 320.1±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 72.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.58
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 220.7±3.0 cm3

Click to predict properties on the Chemicalize site


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