ChemSpider 2D Image | [1-(2-Thienylmethyl)cyclohexyl]acetic acid | C13H18O2S

[1-(2-Thienylmethyl)cyclohexyl]acetic acid

  • Molecular FormulaC13H18O2S
  • Average mass238.346 Da
  • Monoisotopic mass238.102753 Da
  • ChemSpider ID30774535

More details:

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

[1-(2-Thienylmethyl)cyclohexyl]acetic acid [ACD/IUPAC Name]
[1-(2-Thienylmethyl)cyclohexyl]essigsäure [German] [ACD/IUPAC Name]
Acide [1-(2-thiénylméthyl)cyclohexyl]acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 1-(2-thienylmethyl)- [ACD/Index Name]
[1-(THIOPHEN-2-YLMETHYL)CYCLOHEXYL]ACETIC ACID
2-(1-(Thiophen-2-ylmethyl)cyclohexyl)acetic acid
2-{1-[(THIOPHEN-2-YL)METHYL]CYCLOHEXYL}ACETIC ACID
78645-45-1 [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: 384.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 186.1±20.4 °C
Index of Refraction: 1.558
Molar Refractivity: 66.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 72.09
ACD/KOC (pH 5.5): 428.67
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.14
ACD/KOC (pH 7.4): 6.81
Polar Surface Area: 66 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 204.9±3.0 cm3

Click to predict properties on the Chemicalize site


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