ChemSpider 2D Image | (2E)-4-[(~2~H_3_)Methyloxy]-4-oxo(~2~H_2_)-2-butenoic acid | C5HD5O4

(2E)-4-[(2H3)Methyloxy]-4-oxo(2H2)-2-butenoic acid

  • Molecular FormulaC5HD5O4
  • Average mass135.130 Da
  • Monoisotopic mass135.057999 Da
  • ChemSpider ID48063231

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-4-[(2H3)Methyloxy]-4-oxo(2H2)-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-[(2H3)Methyloxy]-4-oxo(2H2)-2-butensäure [German] [ACD/IUPAC Name]
2-Butenedioic-2,3-d2 acid, monomethyl-d3 ester, (2E)- [ACD/Index Name]
Acide (2E)-4-[(2H3)méthyloxy]-4-oxo(2H2)-2-buténoïque [French] [ACD/IUPAC Name]
(E)-2,3-dideuterio-4-oxo-4-(trideuteriomethoxy)but-2-enoic acid
1616345-45-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 250.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 53.6±6.0 kJ/mol
Flash Point: 108.9±16.1 °C
Index of Refraction: 1.469
Molar Refractivity: 28.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 102.8±3.0 cm3

Click to predict properties on the Chemicalize site


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