ChemSpider 2D Image | (2R)-2-Benzyl-3-nitropropanoic acid | C10H11NO4

(2R)-2-Benzyl-3-nitropropanoic acid

  • Molecular FormulaC10H11NO4
  • Average mass209.199 Da
  • Monoisotopic mass209.068802 Da
  • ChemSpider ID23319419
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-Benzyl-3-nitropropanoic acid [ACD/IUPAC Name]
(2R)-2-Benzyl-3-nitropropansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-benzyl-3-nitropropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-(nitromethyl)-, (αR)- [ACD/Index Name]
(R)-2-(nitromethyl)-3-phenylpropanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL407567/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 376.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 164.1±14.4 °C
Index of Refraction: 1.559
Molar Refractivity: 52.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.09
ACD/LogD (pH 7.4): -1.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 163.0±3.0 cm3

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