ChemSpider 2D Image | (3-Oxo-3,5,7,8-tetrahydro-2H-thiopyrano[4,3-c]pyridazin-2-yl)acetic acid | C9H10N2O3S

(3-Oxo-3,5,7,8-tetrahydro-2H-thiopyrano[4,3-c]pyridazin-2-yl)acetic acid

  • Molecular FormulaC9H10N2O3S
  • Average mass226.252 Da
  • Monoisotopic mass226.041214 Da
  • ChemSpider ID29843129

More details:

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

(3-Oxo-3,5,7,8-tetrahydro-2H-thiopyrano[4,3-c]pyridazin-2-yl)acetic acid [ACD/IUPAC Name]
(3-Oxo-3,5,7,8-tetrahydro-2H-thiopyrano[4,3-c]pyridazin-2-yl)essigsäure [German] [ACD/IUPAC Name]
2H-Thiopyrano[4,3-c]pyridazine-2-acetic acid, 3,5,7,8-tetrahydro-3-oxo- [ACD/Index Name]
Acide (3-oxo-3,5,7,8-tétrahydro-2H-thiopyrano[4,3-c]pyridazin-2-yl)acétique [French] [ACD/IUPAC Name]
(3-Oxo-3,5,7,8-tetrahydro-6-thia-1,2-diaza-naphthalen-2-yl)-acetic acid
1383626-35-4 [RN]
2-(3-Oxo-2h,3h,5h,7h,8h-thiopyrano[4,3-c]pyridazin-2-yl)acetic acid
2-(3-Oxo-3,5,7,8-tetrahydro-2H-thiopyrano[4,3-c]pyridazin-2-yl)acetic acid
2-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)acetic acid
2-{3-oxo-2H,3H,5H,7H,8H-thiopyrano[4,3-c]pyridazin-2-yl}acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 483.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 82.0±6.0 kJ/mol
    Flash Point: 246.5±31.5 °C
    Index of Refraction: 1.721
    Molar Refractivity: 56.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.62
    ACD/LogD (pH 5.5): -1.83
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.51
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 95 Å2
    Polarizability: 22.3±0.5 10-24cm3
    Surface Tension: 70.6±7.0 dyne/cm
    Molar Volume: 142.3±7.0 cm3

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