ChemSpider 2D Image | (2Z)-2-Hydroxy-3-[(1Z)-4-methyl-3-oxo-1-penten-1-yl]-2-butenedioate | C10H10O6

(2Z)-2-Hydroxy-3-[(1Z)-4-methyl-3-oxo-1-penten-1-yl]-2-butenedioate

  • Molecular FormulaC10H10O6
  • Average mass226.184 Da
  • Monoisotopic mass226.048828 Da
  • ChemSpider ID31150856

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Hydroxy-3-[(1Z)-4-methyl-3-oxo-1-penten-1-yl]-2-butendioat [German] [ACD/IUPAC Name]
(2Z)-2-Hydroxy-3-[(1Z)-4-methyl-3-oxo-1-penten-1-yl]-2-butenedioate [ACD/IUPAC Name]
(2Z)-2-Hydroxy-3-[(1Z)-4-méthyl-3-oxo-1-pentén-1-yl]-2-butènedioate [French] [ACD/IUPAC Name]
2-Butenedioic acid, 2-hydroxy-3-[(1Z)-4-methyl-3-oxo-1-penten-1-yl]-, ion(2-), (2Z)- [ACD/Index Name]
(2Z)-2-hydroxy-3-[(1Z)-4-methyl-3-oxopent-1-en-1-yl]but-2-enedioate
2-hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate
3-carboxy-2-hydroxy-7-methyl-6-oxo-(2Z,4Z)-octadienoate
3-carboxy-2-hydroxy-7-methyl-6-oxoocta-2,4-dienoate
  • Miscellaneous

    • Chemical Class:

      A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy groups of 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid; major species at pH 7.3. ChEBI CHEBI:28977

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

Density:
Boiling Point: 424.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±6.0 kJ/mol
Flash Point: 224.5±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -4.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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