ChemSpider 2D Image | MFCD00021817 | C18H27NO3

MFCD00021817

  • Molecular FormulaC18H27NO3
  • Average mass305.412 Da
  • Monoisotopic mass305.199097 Da
  • ChemSpider ID21159419

More details:

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

2-[(7-Hydroxy-3,7-diméthyloctylidène)amino]benzoate de méthyle [French] [ACD/IUPAC Name]
201-908-1 [EINECS]
89-43-0 [RN]
Benzoic acid, 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]-, methyl ester [ACD/Index Name]
Methyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate [ACD/IUPAC Name]
METHYL N-(3,7-DIMETHYL-7-HYDROXYOCTYLIDENE)-ANTHRANILATE
Methyl-2-[(7-hydroxy-3,7-dimethyloctyliden)amino]benzoat [German] [ACD/IUPAC Name]
MFCD00021817
QX1&1&3Y1&2UNR BVO1 [WLN]
Hydroxycitronellal / Methyl Anthranilate Schiff's
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 445.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 223.3±28.7 °C
Index of Refraction: 1.501
Molar Refractivity: 88.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 905.28
ACD/KOC (pH 5.5): 4492.21
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 946.78
ACD/KOC (pH 7.4): 4698.14
Polar Surface Area: 59 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 34.3±7.0 dyne/cm
Molar Volume: 301.5±7.0 cm3

Click to predict properties on the Chemicalize site


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