ChemSpider 2D Image | [(1R)-6-Methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]acetic acid | C12H12O4

[(1R)-6-Methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]acetic acid

  • Molecular FormulaC12H12O4
  • Average mass220.221 Da
  • Monoisotopic mass220.073563 Da
  • ChemSpider ID32797622

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1R)-6-Methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]acetic acid [ACD/IUPAC Name]
[(1R)-6-Methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]essigsäure [German] [ACD/IUPAC Name]
1H-Indene-1-acetic acid, 2,3-dihydro-6-methoxy-3-oxo-, (1R)- [ACD/Index Name]
Acide [(1R)-6-méthoxy-3-oxo-2,3-dihydro-1H-indén-1-yl]acétique [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: 428.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 170.6±22.2 °C
Index of Refraction: 1.569
Molar Refractivity: 56.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.75
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 171.2±3.0 cm3

Click to predict properties on the Chemicalize site


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