ChemSpider 2D Image | Methyl (2'Z)-2'-(6-oxo-2,4-cyclohexadien-1-ylidene)-2',3'-dihydro-2,4'-bi-1,3-benzoxazole-4-carboxylate | C22H14N2O5

Methyl (2'Z)-2'-(6-oxo-2,4-cyclohexadien-1-ylidene)-2',3'-dihydro-2,4'-bi-1,3-benzoxazole-4-carboxylate

  • Molecular FormulaC22H14N2O5
  • Average mass386.357 Da
  • Monoisotopic mass386.090271 Da
  • ChemSpider ID28553590

  • Double-bond stereo - Double-bond stereo

More details:

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

(2'Z)-2'-(6-Oxo-2,4-cyclohexadién-1-ylidène)-2',3'-dihydro-2,4'-bi-1,3-benzoxazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
[2,4'-Bibenzoxazole]-4-carboxylic acid, 2',3'-dihydro-2'-(6-oxo-2,4-cyclohexadien-1-ylidene)-, methyl ester, (2'Z)- [ACD/Index Name]
Methyl (2'Z)-2'-(6-oxo-2,4-cyclohexadien-1-ylidene)-2',3'-dihydro-2,4'-bi-1,3-benzoxazole-4-carboxylate [ACD/IUPAC Name]
Methyl-(2'Z)-2'-(6-oxo-2,4-cyclohexadien-1-yliden)-2',3'-dihydro-2,4'-bi-1,3-benzoxazol-4-carboxylat [German] [ACD/IUPAC Name]
[2,4'-Bibenzoxazole]-4-carboxylicacid, 2'-(2-hydroxyphenyl)-, methyl ester
151271-53-3 [RN]
UK-1

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

Density: 1.4±0.1 g/cm3
Boiling Point: 558.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.4±30.1 °C
Index of Refraction: 1.687
Molar Refractivity: 103.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.47
ACD/KOC (pH 5.5): 1348.25
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.47
ACD/KOC (pH 7.4): 1348.25
Polar Surface Area: 91 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 271.4±3.0 cm3

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