ChemSpider 2D Image | (1S)-Spiro[2.2]pent-1-ylacetic acid | C7H10O2

(1S)-Spiro[2.2]pent-1-ylacetic acid

  • Molecular FormulaC7H10O2
  • Average mass126.153 Da
  • Monoisotopic mass126.068077 Da
  • ChemSpider ID32988838

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-Spiro[2.2]pent-1-ylacetic acid [ACD/IUPAC Name]
(1S)-Spiro[2.2]pent-1-ylessigsäure [German] [ACD/IUPAC Name]
Acide (1S)-spiro[2.2]pent-1-ylacétique [French] [ACD/IUPAC Name]
Spiro[2.2]pentane-1-acetic acid, (1S)- [ACD/Index Name]
206757-45-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 236.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 52.2±6.0 kJ/mol
Flash Point: 123.4±9.8 °C
Index of Refraction: 1.536
Molar Refractivity: 32.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.55
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 12.7±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 102.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement