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Search term: UPBMEZVKYYEYRK (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1,3-Propanediyl bis(2,4-dihydroxybenzoate) | C17H16O8

1,3-Propanediyl bis(2,4-dihydroxybenzoate)

  • Molecular FormulaC17H16O8
  • Average mass348.304 Da
  • Monoisotopic mass348.084503 Da
  • ChemSpider ID22427265

More details:






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

1,3-Propandiyl-bis(2,4-dihydroxybenzoat) [German] [ACD/IUPAC Name]
1,3-Propanediyl bis(2,4-dihydroxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-, 1,3-propanediyl ester [ACD/Index Name]
Bis(2,4-dihydroxybenzoate) de 1,3-propanediyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 669.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 247.3±20.8 °C
Index of Refraction: 1.650
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 358.80
ACD/KOC (pH 5.5): 2333.95
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 119.46
ACD/KOC (pH 7.4): 777.06
Polar Surface Area: 134 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 73.5±3.0 dyne/cm
Molar Volume: 236.3±3.0 cm3

Click to predict properties on the Chemicalize site






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