Found 35 results

Search term: MF = 'C_{9}H_{12}O_{7}'
ChemSpider 2D Image | (2E)-4-{[(Isopropoxycarbonyl)oxy]methoxy}-4-oxo-2-butenoic acid | C9H12O7

(2E)-4-{[(Isopropoxycarbonyl)oxy]methoxy}-4-oxo-2-butenoic acid

  • Molecular FormulaC9H12O7
  • Average mass232.187 Da
  • Monoisotopic mass232.058304 Da
  • ChemSpider ID107437530

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-{[(Isopropoxycarbonyl)oxy]methoxy}-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-{[(Isopropoxycarbonyl)oxy]methoxy}-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
2-Butenedioic acid, mono[[[(1-methylethoxy)carbonyl]oxy]methyl] ester, (2E)- [ACD/Index Name]
Acide (2E)-4-{[(isopropoxycarbonyl)oxy]méthoxy}-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 350.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 65.4±6.0 kJ/mol
Flash Point: 135.1±17.2 °C
Index of Refraction: 1.477
Molar Refractivity: 50.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 179.0±3.0 cm3

Click to predict properties on the Chemicalize site


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