ChemSpider 2D Image | 4-(4-Methoxyphenyl)-2-oxo-2H-benzo[h]chromene-3-carbonitrile | C21H13NO3

4-(4-Methoxyphenyl)-2-oxo-2H-benzo[h]chromene-3-carbonitrile

  • Molecular FormulaC21H13NO3
  • Average mass327.333 Da
  • Monoisotopic mass327.089539 Da
  • ChemSpider ID35331488

More details:

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

2H-Naphtho[1,2-b]pyran-3-carbonitrile, 4-(4-methoxyphenyl)-2-oxo- [ACD/Index Name]
4-(4-Methoxyphenyl)-2-oxo-2H-benzo[h]chromen-3-carbonitril [German] [ACD/IUPAC Name]
4-(4-Methoxyphenyl)-2-oxo-2H-benzo[h]chromene-3-carbonitrile [ACD/IUPAC Name]
4-(4-Méthoxyphényl)-2-oxo-2H-benzo[h]chromène-3-carbonitrile [French] [ACD/IUPAC Name]
4-(4-METHOXYPHENYL)-2-OXOBENZO[H]CHROMENE-3-CARBONITRILE
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4526779/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 541.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 233.6±20.3 °C
Index of Refraction: 1.697
Molar Refractivity: 93.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2918.50
ACD/KOC (pH 5.5): 10518.56
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2918.50
ACD/KOC (pH 7.4): 10518.56
Polar Surface Area: 59 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 241.8±5.0 cm3

Click to predict properties on the Chemicalize site


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