Found 3 results

Search term: UJZHYIMESNWEQA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid | C8H10O4

3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid

  • Molecular FormulaC8H10O4
  • Average mass170.163 Da
  • Monoisotopic mass170.057907 Da
  • ChemSpider ID110425868

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-(Methoxycarbonyl)bicyclo[1.1.1]pentan-1-carbonsäure [German] [ACD/IUPAC Name]
3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid [ACD/IUPAC Name]
Acide 3-(méthoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, monomethyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 272.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 56.2±6.0 kJ/mol
Flash Point: 111.2±20.8 °C
Index of Refraction: 1.613
Molar Refractivity: 38.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.58
ACD/LogD (pH 7.4): -2.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 85.3±3.0 dyne/cm
Molar Volume: 109.1±3.0 cm3

Click to predict properties on the Chemicalize site


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