ChemSpider 2D Image | (1S,3R)-3-Benzoylcyclopentanecarboxylic acid | C13H14O3

(1S,3R)-3-Benzoylcyclopentanecarboxylic acid

  • Molecular FormulaC13H14O3
  • Average mass218.249 Da
  • Monoisotopic mass218.094299 Da
  • ChemSpider ID24749314

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3R)-3-Benzoylcyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1S,3R)-3-Benzoylcyclopentanecarboxylic acid [ACD/IUPAC Name]
1215032-39-5 [RN]
Acide (1S,3R)-3-benzoylcyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 3-benzoyl-, (1S,3R)- [ACD/Index Name]
(1S,3R)-3-benzoylcyclopentane-1-carboxylic acid
(1s,3r)-3-benzoylcyclopentanecarboxylicacid
732251-89-7 [RN]
cis-3-Benzoylcyclopentane-1-carboxylic acid
cis-3-Benzoylcyclopentane-1-carboxylicacid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 393.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 206.1±22.4 °C
Index of Refraction: 1.575
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 2.27
ACD/KOC (pH 5.5): 32.15
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 178.0±3.0 cm3

Click to predict properties on the Chemicalize site


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