ChemSpider 2D Image | (4-Oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetic acid | C8H6N2O3S

(4-Oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetic acid

  • Molecular FormulaC8H6N2O3S
  • Average mass210.210 Da
  • Monoisotopic mass210.009918 Da
  • ChemSpider ID21790720

More details:

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

(4-Oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetic acid [ACD/IUPAC Name]
(4-Oxothieno[3,2-d]pyrimidin-3(4H)-yl)essigsäure [German] [ACD/IUPAC Name]
16290-53-2 [RN]
2-(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetic acid
Acide (4-oxothiéno[3,2-d]pyrimidin-3(4H)-yl)acétique [French] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidine-3(4H)-acetic acid, 4-oxo- [ACD/Index Name]
(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetic acid(SALTDATA: FREE)
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetic acid
2-{4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}acetic acid
AGN-PC-05T5D4
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 469.3±51.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.1±3.0 kJ/mol
    Flash Point: 237.6±30.4 °C
    Index of Refraction: 1.755
    Molar Refractivity: 51.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.01
    ACD/LogD (pH 5.5): -1.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 98 Å2
    Polarizability: 20.5±0.5 10-24cm3
    Surface Tension: 77.1±7.0 dyne/cm
    Molar Volume: 126.2±7.0 cm3

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