ChemSpider 2D Image | 4-(2-Amino-3-cyano-5,10-dioxo-5,10-dihydro-4H-benzo[g]chromen-4-yl)benzoic acid | C21H12N2O5

4-(2-Amino-3-cyano-5,10-dioxo-5,10-dihydro-4H-benzo[g]chromen-4-yl)benzoic acid

  • Molecular FormulaC21H12N2O5
  • Average mass372.330 Da
  • Monoisotopic mass372.074615 Da
  • ChemSpider ID21860925

More details:

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

4-(2-Amino-3-cyan-5,10-dioxo-5,10-dihydro-4H-benzo[g]chromen-4-yl)benzoesäure [German] [ACD/IUPAC Name]
4-(2-Amino-3-cyano-5,10-dioxo-5,10-dihydro-4H-benzo[g]chromen-4-yl)benzoic acid [ACD/IUPAC Name]
Acide 4-(2-amino-3-cyano-5,10-dioxo-5,10-dihydro-4H-benzo[g]chromén-4-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(2-amino-3-cyano-5,10-dihydro-5,10-dioxo-4H-naphtho[2,3-b]pyran-4-yl)- [ACD/Index Name]
4-(2-Amino-3-cyano-5,10-dioxo-5,10-dihydro-4H-benzo[g]chromen-4-yl)-benzoic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 718.9±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: 388.6±32.9 °C
Index of Refraction: 1.736
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 3.18
ACD/KOC (pH 5.5): 32.69
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 88.1±5.0 dyne/cm
Molar Volume: 236.9±5.0 cm3

Click to predict properties on the Chemicalize site


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