Deprecated ChemSpider Record

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ChemSpider 2D Image | 1-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-2,5-dione | C15H17NO5


  • Molecular FormulaC15H17NO5
  • Average mass291.299 Da
  • Monoisotopic mass291.111000 Da
  • ChemSpider ID25746095

More details:

Date of deprecation: 13:29, May 12, 2014
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Density: 1.2±0.0 g/cm3
Boiling Point: 441.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±0.0 kJ/mol
Flash Point: 221.1±0.0 °C
Index of Refraction: 1.554
Molar Refractivity: 75.7±0.0 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.03
ACD/KOC (pH 5.5): 94.34
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.03
ACD/KOC (pH 7.4): 94.34
Polar Surface Area: 65 Å2
Polarizability: 30.0±0.0 10-24cm3
Surface Tension: 45.7±0.0 dyne/cm
Molar Volume: 236.3±0.0 cm3

Click to predict properties on the Chemicalize site