ChemSpider 2D Image | 5-(11,12-Didehydrodibenzo[b,f]azocin-5(6H)-yl)-5-oxopentanoic acid | C20H17NO3

5-(11,12-Didehydrodibenzo[b,f]azocin-5(6H)-yl)-5-oxopentanoic acid

  • Molecular FormulaC20H17NO3
  • Average mass319.354 Da
  • Monoisotopic mass319.120850 Da
  • ChemSpider ID32741547

More details:






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

5-(11,12-Didehydrodibenzo[b,f]azocin-5(6H)-yl)-5-oxopentanoic acid [ACD/IUPAC Name]
5-(11,12-Didehydrodibenzo[b,f]azocin-5(6H)-yl)-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-(11,12-didéhydrodibenzo[b,f]azocin-5(6H)-yl)-5-oxopentanoïque [French] [ACD/IUPAC Name]
Dibenz[b,f]azocine-5(6H)-pentanoic acid, 11,12-didehydro-δ-oxo- [ACD/Index Name]
1207355-31-4 [RN]
2241359-92-0 [RN]
5-{2-Azatricyclo[10.4.0.04,9]hexadeca- 1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-5- oxopentanoic acid
DBCO-acid
dbco-c5-acid
MFCD30748340

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 635.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.2±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 34.42
ACD/KOC (pH 5.5): 234.57
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.69
Polar Surface Area: 58 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 242.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement