Found 1 result

Search term: 57537680 (Found by CSID)
ChemSpider 2D Image | cis-cascarillic acid | C11H20O2

cis-cascarillic acid

  • Molecular FormulaC11H20O2
  • Average mass184.275 Da
  • Monoisotopic mass184.146332 Da
  • ChemSpider ID57537680

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1S,2S)-2-Hexylcyclopropyl]acetic acid [ACD/IUPAC Name]
[(1S,2S)-2-Hexylcyclopropyl]essigsäure [German] [ACD/IUPAC Name]
Acide [(1S,2S)-2-hexylcyclopropyl]acétique [French] [ACD/IUPAC Name]
cis-cascarillic acid
Cyclopropaneacetic acid, 2-hexyl-, (1S,2S)- [ACD/Index Name]
(2-Hexylcyclopropyl)acetic acid [ACD/IUPAC Name]
2-((1S,2S)-2-hexylcyclopropyl)acetic acid
2-(Cis-2-hexylcyclopropyl)acetic acid
4707-61-3 [RN]
cis-2-(2-hexylcyclopropyl)-acetic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 282.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.3±6.0 kJ/mol
Flash Point: 132.5±9.8 °C
Index of Refraction: 1.468
Molar Refractivity: 52.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 50.56
ACD/KOC (pH 5.5): 338.83
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.41
Polar Surface Area: 37 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 189.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement