ChemSpider 2D Image | 3-[4-(2-Hydroxyethyl)-3-(methoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid | C14H14N2O6

3-[4-(2-Hydroxyethyl)-3-(methoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

  • Molecular FormulaC14H14N2O6
  • Average mass306.271 Da
  • Monoisotopic mass306.085175 Da
  • ChemSpider ID25992722

More details:

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

1H-Pyrazole-3-carboxylic acid, 1-(3-carboxyphenyl)-4,5-dihydro-4-(2-hydroxyethyl)-5-oxo-, 3-methyl ester [ACD/Index Name]
3-[4-(2-Hydroxyethyl)-3-(methoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoesäure [German] [ACD/IUPAC Name]
3-[4-(2-Hydroxyethyl)-3-(methoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 3-[4-(2-hydroxyéthyl)-3-(méthoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoïque [French] [ACD/IUPAC Name]
1221723-94-9 [RN]
3-[4-(2-HYDROXYETHYL)-3-(METHOXYCARBONYL)-5-OXO-4H-PYRAZOL-1-YL]BENZOIC ACID
MFCD14705822 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 521.8±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.4±31.8 °C
Index of Refraction: 1.633
Molar Refractivity: 74.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.13
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 208.5±7.0 cm3

Click to predict properties on the Chemicalize site


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