ChemSpider 2D Image | (3-Methyl-5-oxo-2,5-dihydro-2-furanyl)acetate | C7H7O4

(3-Methyl-5-oxo-2,5-dihydro-2-furanyl)acetate

  • Molecular FormulaC7H7O4
  • Average mass155.129 Da
  • Monoisotopic mass155.034988 Da
  • ChemSpider ID23345561

  • Charge - Charge

More details:

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

(3-Methyl-5-oxo-2,5-dihydro-2-furanyl)acetat [German] [ACD/IUPAC Name]
(3-Methyl-5-oxo-2,5-dihydro-2-furanyl)acetate [ACD/IUPAC Name]
(3-Méthyl-5-oxo-2,5-dihydro-2-furanyl)acétate [French] [ACD/IUPAC Name]
(3-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetate
2-Furanacetic acid, 2,5-dihydro-3-methyl-5-oxo-, ion(1-) [ACD/Index Name]
4-carboxylatomethyl-3-methylbut-2-en-1,4-olide(1-)
2-(3-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetate
3-Methylmuconolactone
4-carboxylatomethyl-3-methylbut-2-en-1,4-olide
4-carboxylatomethyl-3-methylbut-2-en-1,4-olide anion
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:57883 [DBID]
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion that is the conjugate base of 4-carboxymethyl-3-methylbut-2-en-1,4-olide; major species at pH 7.3. ChEBI CHEBI:57883

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

Density:
Boiling Point: 410.2±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±6.0 kJ/mol
Flash Point: 178.6±14.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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