Found 4 results

Search term: BLIBUSWZDABXJU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | {2-[(E)-(3-Methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl}acetic acid | C19H16N2O3

{2-[(E)-(3-Methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl}acetic acid

  • Molecular FormulaC19H16N2O3
  • Average mass320.342 Da
  • Monoisotopic mass320.116089 Da
  • ChemSpider ID30629128

  • Double-bond stereo - Double-bond stereo

More details:

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

{2-[(E)-(3-Methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]phenyl}essigsäure [German] [ACD/IUPAC Name]
{2-[(E)-(3-Methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl}acetic acid [ACD/IUPAC Name]
Acide {2-[(E)-(3-méthyl-5-oxo-1-phényl-1,5-dihydro-4H-pyrazol-4-ylidène)méthyl]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-[(E)-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.6±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 91.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 3.00
ACD/KOC (pH 5.5): 31.26
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 259.4±7.0 cm3

Click to predict properties on the Chemicalize site


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