ChemSpider 2D Image | Dimethyl 3,3'-(4,6-dihydroxy-5-nitro-1,3-phenylene)dipropanoate | C14H17NO8

Dimethyl 3,3'-(4,6-dihydroxy-5-nitro-1,3-phenylene)dipropanoate

  • Molecular FormulaC14H17NO8
  • Average mass327.287 Da
  • Monoisotopic mass327.095428 Da
  • ChemSpider ID28689858

More details:

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

1,3-Benzenedipropanoic acid, 4,6-dihydroxy-5-nitro-, dimethyl ester [ACD/Index Name]
3,3'-(4,6-Dihydroxy-5-nitro-1,3-phénylène)dipropanoate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3,3'-(4,6-dihydroxy-5-nitro-1,3-phenylene)dipropanoate [ACD/IUPAC Name]
Dimethyl-3,3'-(4,6-dihydroxy-5-nitro-1,3-phenylen)dipropanoat [German] [ACD/IUPAC Name]
88421-76-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 449.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 225.4±27.3 °C
Index of Refraction: 1.571
Molar Refractivity: 77.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 2.94
ACD/KOC (pH 5.5): 39.72
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 236.8±3.0 cm3

Click to predict properties on the Chemicalize site


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