ChemSpider 2D Image | pyrraline | C6H7NO2

pyrraline

  • Molecular FormulaC6H7NO2
  • Average mass125.125 Da
  • Monoisotopic mass125.047676 Da
  • ChemSpider ID23979170

More details:

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

1H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)- [ACD/Index Name]
5-(Hydroxymethyl)-1H-pyrrol-2-carbaldehyd [German] [ACD/IUPAC Name]
5-(Hydroxymethyl)-1H-pyrrole-2-carbaldehyde [ACD/IUPAC Name]
5-(Hydroxyméthyl)-1H-pyrrole-2-carbaldéhyde [French] [ACD/IUPAC Name]
67350-50-9 [RN]
pyrraline
[67350-50-9] [RN]
1H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)- (9CI)
1H-Pyrrole-2-carboxaldehyde,5-(hydroxymethyl)-(9CI)
2-FHMPN
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1524599 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 324.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 150.2±25.1 °C
Index of Refraction: 1.647
Molar Refractivity: 33.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.52
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.52
Polar Surface Area: 53 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 65.7±3.0 dyne/cm
Molar Volume: 93.2±3.0 cm3

Click to predict properties on the Chemicalize site


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