ChemSpider 2D Image | (E)-4-methyl-5-oxohex-2-enedioic acid | C7H8O5

(E)-4-methyl-5-oxohex-2-enedioic acid

  • Molecular FormulaC7H8O5
  • Average mass172.135 Da
  • Monoisotopic mass172.037170 Da
  • ChemSpider ID28536434

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-Methyl-5-oxo-2-hexendisäure [German] [ACD/IUPAC Name]
(2E)-4-Methyl-5-oxo-2-hexenedioic acid [ACD/IUPAC Name]
(E)-4-methyl-5-oxohex-2-enedioic acid
2-Hexenedioic acid, 4-methyl-5-oxo-, (2E)- [ACD/Index Name]
412324-07-3 [RN]
Acide (2E)-4-méthyl-5-oxo-2-hexènedioïque [French] [ACD/IUPAC Name]
(2E)-4-METHYL-5-OXOHEX-2-ENEDIOIC ACID
[412324-07-3] [RN]
4-Methyl-5-oxohex-2-enedioic acid
4-Methyl-5-oxohex-2-enedioicacid
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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: 378.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 68.7±6.0 kJ/mol
    Flash Point: 196.6±22.4 °C
    Index of Refraction: 1.517
    Molar Refractivity: 37.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.57
    ACD/LogD (pH 5.5): -4.56
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.15
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 14.9±0.5 10-24cm3
    Surface Tension: 58.3±3.0 dyne/cm
    Molar Volume: 124.4±3.0 cm3

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