ChemSpider 2D Image | (1S,2R)-2-(Carboxymethyl)cyclopentanecarboxylic acid | C8H12O4

(1S,2R)-2-(Carboxymethyl)cyclopentanecarboxylic acid

  • Molecular FormulaC8H12O4
  • Average mass172.178 Da
  • Monoisotopic mass172.073563 Da
  • ChemSpider ID61412838

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-2-(Carboxymethyl)cyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1S,2R)-2-(Carboxymethyl)cyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,2R)-2-(carboxyméthyl)cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentaneacetic acid, 2-carboxy-, (1R,2S)- [ACD/Index Name]
877761-36-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 390.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.3±6.0 kJ/mol
Flash Point: 204.2±16.9 °C
Index of Refraction: 1.514
Molar Refractivity: 40.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): -3.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 133.2±3.0 cm3

Click to predict properties on the Chemicalize site


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