ChemSpider 2D Image | [2-(Hydroxymethyl)-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid | C9H13NO4

[2-(Hydroxymethyl)-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid

  • Molecular FormulaC9H13NO4
  • Average mass199.204 Da
  • Monoisotopic mass199.084457 Da
  • ChemSpider ID78435710

More details:

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

[2-(Hydroxymethyl)-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid [ACD/IUPAC Name]
[2-(Hydroxymethyl)-5-(methoxymethyl)-1H-pyrrol-1-yl]essigsäure [German] [ACD/IUPAC Name]
1H-Pyrrole-1-acetic acid, 2-(hydroxymethyl)-5-(methoxymethyl)- [ACD/Index Name]
Acide [2-(hydroxyméthyl)-5-(méthoxyméthyl)-1H-pyrrol-1-yl]acétique [French] [ACD/IUPAC Name]
2-[2-formyl-5-(methoxymethyl)-1h-pyrrol-1-yl]acetic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 394.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 192.6±27.9 °C
Index of Refraction: 1.538
Molar Refractivity: 49.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 157.2±7.0 cm3

Click to predict properties on the Chemicalize site


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