ChemSpider 2D Image | (2S)-2-Acetamido-4-pentynoic acid | C7H9NO3

(2S)-2-Acetamido-4-pentynoic acid

  • Molecular FormulaC7H9NO3
  • Average mass155.151 Da
  • Monoisotopic mass155.058243 Da
  • ChemSpider ID24971320

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Acetylamino)-4-pentynoic acid
(2S)-2-Acetamido-4-pentinsäure [German] [ACD/IUPAC Name]
(2S)-2-Acetamido-4-pentynoic acid [ACD/IUPAC Name]
23235-04-3 [RN]
4-Pentynoic acid, 2-(acetylamino)-, (2S)- [ACD/Index Name]
Acide (2S)-2-acétamido-4-pentynoïque [French] [ACD/IUPAC Name]
MFCD20641442

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

Density: 1.2±0.1 g/cm3
Boiling Point: 408.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.5±6.0 kJ/mol
Flash Point: 201.0±27.3 °C
Index of Refraction: 1.493
Molar Refractivity: 37.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -3.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 128.8±3.0 cm3

Click to predict properties on the Chemicalize site


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