ChemSpider 2D Image | 21-Hydroxy-3,20-dioxopregn-4-en-19-oic acid | C21H28O5

21-Hydroxy-3,20-dioxopregn-4-en-19-oic acid

  • Molecular FormulaC21H28O5
  • Average mass360.444 Da
  • Monoisotopic mass360.193665 Da
  • ChemSpider ID28576002

More details:

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

21-Hydroxy-3,20-dioxopregn-4-en-19-oic acid [ACD/IUPAC Name]
21-Hydroxy-3,20-dioxopregn-4-en-19-säure [German] [ACD/IUPAC Name]
Acide 21-hydroxy-3,20-dioxoprégn-4-én-19-oïque [French] [ACD/IUPAC Name]
Pregn-4-en-19-oic acid, 21-hydroxy-3,20-dioxo- [ACD/Index Name]
85864-33-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 575.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.9±6.0 kJ/mol
Flash Point: 315.7±26.6 °C
Index of Refraction: 1.586
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.45
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 280.5±5.0 cm3

Click to predict properties on the Chemicalize site


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