ChemSpider 2D Image | 2-[4-(Methoxycarbonyl)-3-nitro-1H-pyrazol-1-yl]butanoic acid | C9H11N3O6

2-[4-(Methoxycarbonyl)-3-nitro-1H-pyrazol-1-yl]butanoic acid

  • Molecular FormulaC9H11N3O6
  • Average mass257.200 Da
  • Monoisotopic mass257.064789 Da
  • ChemSpider ID53607978

More details:

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

1H-Pyrazole-1-acetic acid, α-ethyl-4-(methoxycarbonyl)-3-nitro- [ACD/Index Name]
2-[4-(Methoxycarbonyl)-3-nitro-1H-pyrazol-1-yl]butanoic acid [ACD/IUPAC Name]
2-[4-(Methoxycarbonyl)-3-nitro-1H-pyrazol-1-yl]butansäure [German] [ACD/IUPAC Name]
Acide 2-[4-(méthoxycarbonyl)-3-nitro-1H-pyrazol-1-yl]butanoïque [French] [ACD/IUPAC Name]
1856064-69-1 [RN]
2-[4-(METHOXYCARBONYL)-3-NITROPYRAZOL-1-YL]BUTANOIC ACID
MFCD29911817

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

Density: 1.5±0.1 g/cm3
Boiling Point: 439.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 219.4±25.9 °C
Index of Refraction: 1.610
Molar Refractivity: 57.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 166.5±7.0 cm3

Click to predict properties on the Chemicalize site


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