Found 22 results

Search term: MF = 'C_{9}H_{7}N_{3}O_{7}'
ChemSpider 2D Image | 4-(4-Carboxy-4-hydroxy-1-butyn-1-yl)-3-nitro-1H-pyrazole-5-carboxylic acid | C9H7N3O7

4-(4-Carboxy-4-hydroxy-1-butyn-1-yl)-3-nitro-1H-pyrazole-5-carboxylic acid

  • Molecular FormulaC9H7N3O7
  • Average mass269.168 Da
  • Monoisotopic mass269.028412 Da
  • ChemSpider ID83935225

More details:

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

1H-Pyrazole-5-carboxylic acid, 4-(4-carboxy-4-hydroxy-1-butyn-1-yl)-3-nitro- [ACD/Index Name]
4-(4-Carboxy-4-hydroxy-1-butin-1-yl)-3-nitro-1H-pyrazol-5-carbonsäure [German] [ACD/IUPAC Name]
4-(4-Carboxy-4-hydroxy-1-butyn-1-yl)-3-nitro-1H-pyrazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 4-(4-carboxy-4-hydroxy-1-butyn-1-yl)-3-nitro-1H-pyrazole-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 719.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 388.7±32.9 °C
Index of Refraction: 1.698
Molar Refractivity: 55.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -4.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 141.2±5.0 dyne/cm
Molar Volume: 143.0±5.0 cm3

Click to predict properties on the Chemicalize site


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