ChemSpider 2D Image | MFCD11909488 | C9H11NO3

MFCD11909488

  • Molecular FormulaC9H11NO3
  • Average mass181.189 Da
  • Monoisotopic mass181.073898 Da
  • ChemSpider ID25445770

More details:






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

1H-Pyrrole-1-acetic acid, α-ethyl-2-formyl- [ACD/Index Name]
2-(2-Formyl-1H-pyrrol-1-yl)butanoic acid [ACD/IUPAC Name]
2-(2-Formyl-1H-pyrrol-1-yl)butansäure [German] [ACD/IUPAC Name]
Acide 2-(2-formyl-1H-pyrrol-1-yl)butanoïque [French] [ACD/IUPAC Name]
MFCD11909488
1176717-08-0 [RN]
2-(2-FORMYLPYRROL-1-YL)BUTANOIC ACID
C9H11NO3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 351.2±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 166.2±22.3 °C
Index of Refraction: 1.547
Molar Refractivity: 47.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 150.7±7.0 cm3

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