ChemSpider 2D Image | ({6-Methyl-5-[2-({(Z)-[phenyl(3-pyridinyl)methylene]amino}oxy)ethyl]-7,8-dihydro-1-naphthalenyl}oxy)acetic acid | C27H26N2O4

({6-Methyl-5-[2-({(Z)-[phenyl(3-pyridinyl)methylene]amino}oxy)ethyl]-7,8-dihydro-1-naphthalenyl}oxy)acetic acid

  • Molecular FormulaC27H26N2O4
  • Average mass442.506 Da
  • Monoisotopic mass442.189270 Da
  • ChemSpider ID23354859

  • Double-bond stereo - Double-bond stereo

More details:

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

({6-Methyl-5-[2-({(Z)-[phenyl(3-pyridinyl)methylen]amino}oxy)ethyl]-7,8-dihydro-1-naphthalinyl}oxy)essigsäure [German] [ACD/IUPAC Name]
({6-Methyl-5-[2-({(Z)-[phenyl(3-pyridinyl)methylene]amino}oxy)ethyl]-7,8-dihydro-1-naphthalenyl}oxy)acetic acid [ACD/IUPAC Name]
({6-Methyl-5-[2-({[(Z)-phenyl(pyridin-3-yl)methylene]amino}oxy)ethyl]-7,8-dihydronaphthalen-1-yl}oxy)acetic acid
Acetic acid, 2-[[7,8-dihydro-6-methyl-5-[2-[[[(1Z)-phenyl-3-pyridinylmethylene]amino]oxy]ethyl]-1-naphthalenyl]oxy]- [ACD/Index Name]
Acide ({6-méthyl-5-[2-({(Z)-[phényl(3-pyridinyl)méthylène]amino}oxy)éthyl]-7,8-dihydro-1-naphtalényl}oxy)acétique [French] [ACD/IUPAC Name]
176391-41-6 [RN]

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

Ono 1301 [DBID]
ONO-1301 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 340.8±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 127.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 91.07
ACD/KOC (pH 5.5): 193.12
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 4.47
ACD/KOC (pH 7.4): 9.48
Polar Surface Area: 81 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 368.9±7.0 cm3

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