There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.

ChemSpider 2D Image | 2-(3-Ethoxy-4-nitro-1H-pyrazol-1-yl)butanoic acid | C9H13N3O5

2-(3-Ethoxy-4-nitro-1H-pyrazol-1-yl)butanoic acid

  • Molecular FormulaC9H13N3O5
  • Average mass243.217 Da
  • Monoisotopic mass243.085526 Da
  • ChemSpider ID38777570

More details:

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

1H-Pyrazole-1-acetic acid, 3-ethoxy-α-ethyl-4-nitro- [ACD/Index Name]
2-(3-Ethoxy-4-nitro-1H-pyrazol-1-yl)butanoic acid [ACD/IUPAC Name]
2-(3-Ethoxy-4-nitro-1H-pyrazol-1-yl)butansäure [German] [ACD/IUPAC Name]
Acide 2-(3-éthoxy-4-nitro-1H-pyrazol-1-yl)butanoïque [French] [ACD/IUPAC Name]
1855906-77-2 [RN]
2-(3-Ethoxy-4-nitro-pyrazol-1-yl)-butyric acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 442.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 221.2±25.9 °C
Index of Refraction: 1.587
Molar Refractivity: 56.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 169.2±7.0 cm3

Click to predict properties on the Chemicalize site