Found 254 results

Search term: MF = 'C_{34}H_{31}NO_{4}'
ChemSpider 2D Image | 4-(2,2-Dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-ethoxyphenyl benzoate | C34H31NO4

4-(2,2-Dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-ethoxyphenyl benzoate

  • Molecular FormulaC34H31NO4
  • Average mass517.614 Da
  • Monoisotopic mass517.225281 Da
  • ChemSpider ID4185155

More details:

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

4-(2,2-Dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-ethoxyphenyl benzoate [ACD/IUPAC Name]
4-(2,2-Dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-ethoxyphenyl-benzoat [German] [ACD/IUPAC Name]
Benzo[a]phenanthridin-4(1H)-one, 5-[4-(benzoyloxy)-3-ethoxyphenyl]-2,3,5,6-tetrahydro-2,2-dimethyl- [ACD/Index Name]
Benzoate de 4-(2,2-diméthyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phénanthridin-5-yl)-2-éthoxyphényle [French] [ACD/IUPAC Name]
4-(2,2-dimethyl-4-oxo(1,2,3,5,6-pentahydrobenzo[a]phenanthridin-5-yl))-2-ethoxyphenyl benzoate
Benzoic acid 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydro-benzo[a]phenanthridin-5-yl)-2-ethoxy-phenyl ester

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

A3337/0141765 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 725.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.8±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 152.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 7.29
ACD/BCF (pH 5.5): 204870.11
ACD/KOC (pH 5.5): 220551.81
ACD/LogD (pH 7.4): 7.29
ACD/BCF (pH 7.4): 204904.98
ACD/KOC (pH 7.4): 220589.34
Polar Surface Area: 65 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 405.6±5.0 cm3

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