ChemSpider 2D Image | (1S,3R)-3-(2-Carboxy-2-propanyl)cyclopentanecarboxylic acid | C10H16O4

(1S,3R)-3-(2-Carboxy-2-propanyl)cyclopentanecarboxylic acid

  • Molecular FormulaC10H16O4
  • Average mass200.232 Da
  • Monoisotopic mass200.104858 Da
  • ChemSpider ID97083178

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3R)-3-(2-Carboxy-2-propanyl)cyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1S,3R)-3-(2-Carboxy-2-propanyl)cyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,3R)-3-(2-carboxy-2-propanyl)cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentaneacetic acid, 3-carboxy-α,α-dimethyl-, (1R,3S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 383.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.4±6.0 kJ/mol
Flash Point: 199.9±16.9 °C
Index of Refraction: 1.517
Molar Refractivity: 48.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.17
ACD/LogD (pH 7.4): -3.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 161.8±3.0 cm3

Click to predict properties on the Chemicalize site


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