ChemSpider 2D Image | [5-(Methoxycarbonyl)-2-thienyl]acetic acid | C8H8O4S

[5-(Methoxycarbonyl)-2-thienyl]acetic acid

  • Molecular FormulaC8H8O4S
  • Average mass200.212 Da
  • Monoisotopic mass200.014328 Da
  • ChemSpider ID14146535

More details:

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

[5-(Methoxycarbonyl)-2-thienyl]acetic acid [ACD/IUPAC Name]
[5-(Methoxycarbonyl)-2-thienyl]essigsäure [German] [ACD/IUPAC Name]
2-Thiopheneacetic acid, 5-(methoxycarbonyl)- [ACD/Index Name]
Acide [5-(méthoxycarbonyl)-2-thiényl]acétique [French] [ACD/IUPAC Name]
[142667-06-9] [RN]
[5-(Methoxycarbonyl)thiophen-2-yl]acetic acid
142667-06-9 [RN]
2-(5-(methoxycarbonyl)thiophen-2-yl)acetic acid
2-(5-(Methoxycarbonyl)thiophen-2-yl)aceticacid
2-[5-(METHOXYCARBONYL)THIOPHEN-2-YL]ACETIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [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: 367.5±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.8±3.0 kJ/mol
    Flash Point: 176.1±25.1 °C
    Index of Refraction: 1.573
    Molar Refractivity: 47.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.09
    ACD/LogD (pH 5.5): 0.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.86
    ACD/LogD (pH 7.4): -1.72
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 18.8±0.5 10-24cm3
    Surface Tension: 55.5±3.0 dyne/cm
    Molar Volume: 144.2±3.0 cm3

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