ChemSpider 2D Image | 2-(Cyclopropylmethoxy)-5-(isopropylsulfonyl)benzoic acid | C14H18O5S

2-(Cyclopropylmethoxy)-5-(isopropylsulfonyl)benzoic acid

  • Molecular FormulaC14H18O5S
  • Average mass298.355 Da
  • Monoisotopic mass298.087494 Da
  • ChemSpider ID57422930

More details:

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

2-(Cyclopropylmethoxy)-5-(isopropylsulfonyl)benzoesäure [German] [ACD/IUPAC Name]
2-(Cyclopropylmethoxy)-5-(isopropylsulfonyl)benzoic acid [ACD/IUPAC Name]
Acide 2-(cyclopropylméthoxy)-5-(isopropylsulfonyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(cyclopropylmethoxy)-5-[(1-methylethyl)sulfonyl]- [ACD/Index Name]
2-(Cyclopropylmethoxy)-5-(Isopropylsulfonyl)Benzoic Acid(WXC00681)
2-(CYCLOPROPYLMETHOXY)-5-(PROPANE-2-SULFONYL)BENZOIC ACID
845617-56-3 [RN]
MFCD28991864

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 511.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.3±3.0 kJ/mol
    Flash Point: 262.9±30.1 °C
    Index of Refraction: 1.555
    Molar Refractivity: 73.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.29
    ACD/LogD (pH 5.5): -0.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.26
    ACD/LogD (pH 7.4): -0.89
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 29.3±0.5 10-24cm3
    Surface Tension: 48.9±3.0 dyne/cm
    Molar Volume: 230.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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