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Search term: 20057935 (Found by CSID)
ChemSpider 2D Image | 5,6-Dihydroxy-3-(hydroxymethyl)-2-oxo-3-cyclohexen-1-yl 2-hydroxy-6-methylbenzoate | C15H16O7

5,6-Dihydroxy-3-(hydroxymethyl)-2-oxo-3-cyclohexen-1-yl 2-hydroxy-6-methylbenzoate

  • Molecular FormulaC15H16O7
  • Average mass308.283 Da
  • Monoisotopic mass308.089600 Da
  • ChemSpider ID20057935

More details:

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

2-Hydroxy-6-méthylbenzoate de 5,6-dihydroxy-3-(hydroxyméthyl)-2-oxo-3-cyclohexén-1-yle [French] [ACD/IUPAC Name]
5,6-Dihydroxy-3-(hydroxymethyl)-2-oxo-3-cyclohexen-1-yl 2-hydroxy-6-methylbenzoate [ACD/IUPAC Name]
5,6-Dihydroxy-3-(hydroxymethyl)-2-oxo-3-cyclohexen-1-yl-2-hydroxy-6-methylbenzoat [German] [ACD/IUPAC Name]
5,6-Dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl 2-hydroxy-6-methylbenzoate
Benzoic acid, 2-hydroxy-6-methyl-, 5,6-dihydroxy-3-(hydroxymethyl)-2-oxo-3-cyclohexen-1-yl ester [ACD/Index Name]
4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 543.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 204.0±23.6 °C
Index of Refraction: 1.650
Molar Refractivity: 74.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.68
ACD/KOC (pH 5.5): 70.49
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.95
ACD/KOC (pH 7.4): 51.10
Polar Surface Area: 124 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 80.2±5.0 dyne/cm
Molar Volume: 203.1±5.0 cm3

Click to predict properties on the Chemicalize site


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