Found 42 results

Search term: MF = 'C_{9}H_{12}FNO_{4}'
ChemSpider 2D Image | (2S)-3-(5-Fluoro-3,6-dihydro-1(2H)-pyridinyl)-2-methoxy-3-oxopropanoic acid | C9H12FNO4

(2S)-3-(5-Fluoro-3,6-dihydro-1(2H)-pyridinyl)-2-methoxy-3-oxopropanoic acid

  • Molecular FormulaC9H12FNO4
  • Average mass217.194 Da
  • Monoisotopic mass217.075043 Da
  • ChemSpider ID96786735

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(5-Fluor-3,6-dihydro-1(2H)-pyridinyl)-2-methoxy-3-oxopropansäure [German] [ACD/IUPAC Name]
(2S)-3-(5-Fluoro-3,6-dihydro-1(2H)-pyridinyl)-2-methoxy-3-oxopropanoic acid [ACD/IUPAC Name]
1(2H)-Pyridinepropanoic acid, 3-fluoro-5,6-dihydro-α-methoxy-β-oxo-, (αS)- [ACD/Index Name]
Acide (2S)-3-(5-fluoro-3,6-dihydro-1(2H)-pyridinyl)-2-méthoxy-3-oxopropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 419.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±6.0 kJ/mol
Flash Point: 207.6±28.7 °C
Index of Refraction: 1.513
Molar Refractivity: 48.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 162.5±5.0 cm3

Click to predict properties on the Chemicalize site


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