ChemSpider 2D Image | TAZAROTENIC ACID SULFONE | C19H17NO4S

TAZAROTENIC ACID SULFONE

  • Molecular FormulaC19H17NO4S
  • Average mass355.408 Da
  • Monoisotopic mass355.087830 Da
  • ChemSpider ID48062598

More details:

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

3-Pyridinecarboxylic acid, 6-[2-(3,4-dihydro-4,4-dimethyl-1,1-dioxido-2H-1-benzothiopyran-6-yl)ethynyl]- [ACD/Index Name]
6-[(4,4-Dimethyl-1,1-dioxido-3,4-dihydro-2H-thiochromen-6-yl)ethinyl]nicotinsäure [German] [ACD/IUPAC Name]
6-[(4,4-Dimethyl-1,1-dioxido-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]nicotinic acid [ACD/IUPAC Name]
Acide 6-[(4,4-diméthyl-1,1-dioxydo-3,4-dihydro-2H-thiochromén-6-yl)éthynyl]nicotinique [French] [ACD/IUPAC Name]
TAZAROTENIC ACID SULFONE
6-[2-(4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylic acid
603952-63-2 [RN]
UNII:4R3X0V37NN

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

4R3X0V37NN [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 615.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.0±3.0 kJ/mol
    Flash Point: 325.9±31.5 °C
    Index of Refraction: 1.660
    Molar Refractivity: 92.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.81
    ACD/LogD (pH 5.5): 0.93
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.64
    ACD/LogD (pH 7.4): 0.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 93 Å2
    Polarizability: 36.8±0.5 10-24cm3
    Surface Tension: 73.0±5.0 dyne/cm
    Molar Volume: 251.2±5.0 cm3

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