ChemSpider 2D Image | (1S,3R)-3-(Carboxymethyl)-2,2-dimethylcyclobutanecarboxylic acid | C9H14O4

(1S,3R)-3-(Carboxymethyl)-2,2-dimethylcyclobutanecarboxylic acid

  • Molecular FormulaC9H14O4
  • Average mass186.205 Da
  • Monoisotopic mass186.089203 Da
  • ChemSpider ID96668127

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3R)-3-(Carboxymethyl)-2,2-dimethylcyclobutancarbonsäure [German] [ACD/IUPAC Name]
(1S,3R)-3-(Carboxymethyl)-2,2-dimethylcyclobutanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,3R)-3-(carboxyméthyl)-2,2-diméthylcyclobutanecarboxylique [French] [ACD/IUPAC Name]
Cyclobutaneacetic acid, 3-carboxy-2,2-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: 362.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.9±6.0 kJ/mol
Flash Point: 187.3±16.9 °C
Index of Refraction: 1.494
Molar Refractivity: 44.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.89
ACD/LogD (pH 7.4): -3.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 153.8±3.0 cm3

Click to predict properties on the Chemicalize site


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