ChemSpider 2D Image | (3S)-1-Oxo-2,3-dihydro-1H-pyrrolizine-3-carboxylic acid | C8H7NO3

(3S)-1-Oxo-2,3-dihydro-1H-pyrrolizine-3-carboxylic acid

  • Molecular FormulaC8H7NO3
  • Average mass165.146 Da
  • Monoisotopic mass165.042587 Da
  • ChemSpider ID24215996

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-Oxo-2,3-dihydro-1H-pyrrolizin-3-carbonsäure [German] [ACD/IUPAC Name]
(3S)-1-Oxo-2,3-dihydro-1H-pyrrolizine-3-carboxylic acid [ACD/IUPAC Name]
1H-Pyrrolizine-3-carboxylic acid, 2,3-dihydro-1-oxo-, (3S)- [ACD/Index Name]
Acide (3S)-1-oxo-2,3-dihydro-1H-pyrrolizine-3-carboxylique [French] [ACD/IUPAC Name]
(2S)-4-oxo-1-azabicyclo<3.3.0>octa-5,7-diene-2-carboxylic acid
(S)-1-oxo-2,3-dihydro-1H-pyrrolizine-3-carboxylic acid
1H-Pyrrolizine-3-carboxylic acid, 2,3-dihydro-1-oxo-, (S)- (9CI)
80314-88-1 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 393.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 191.9±25.9 °C
Index of Refraction: 1.689
Molar Refractivity: 40.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 66.1±7.0 dyne/cm
Molar Volume: 106.9±7.0 cm3

Click to predict properties on the Chemicalize site


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