ChemSpider 2D Image | Methyl [3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate | C12H13NO4

Methyl [3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate

  • Molecular FormulaC12H13NO4
  • Average mass235.236 Da
  • Monoisotopic mass235.084457 Da
  • ChemSpider ID21395516

More details:

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

[3-(4-Hydroxyphényl)-4,5-dihydro-1,2-oxazol-5-yl]acétate de méthyle [French] [ACD/IUPAC Name]
3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER
5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester [ACD/Index Name]
Methyl [3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate [ACD/IUPAC Name]
Methyl-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetat [German] [ACD/IUPAC Name]
478336-92-4 [RN]
CHEMBL211769
ISO-1
methyl 2-[(5R)-3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
UNII-7QFF3Z0V9X

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

Density: 1.3±0.1 g/cm3
Boiling Point: 365.0±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 174.6±29.6 °C
Index of Refraction: 1.582
Molar Refractivity: 60.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.21
ACD/KOC (pH 5.5): 170.54
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.07
ACD/KOC (pH 7.4): 168.04
Polar Surface Area: 68 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 180.2±7.0 cm3

Click to predict properties on the Chemicalize site


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