Deprecated ChemSpider Record

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ChemSpider 2D Image | (7aS)-4,4,7a-Trimethyl-5,7a-dihydro-1-benzofuran-2(4H)-one | C11H14O2

(7aS)-4,4,7a-Trimethyl-5,7a-dihydro-1-benzofuran-2(4H)-one

  • Molecular FormulaC11H14O2
  • Average mass178.228 Da
  • Monoisotopic mass178.099380 Da
  • ChemSpider ID10250059
  • defined stereocentres - 1 of 1 defined stereocentres


More details:





Date of deprecation: 13:33, Feb 22, 2024
Reason for deprecation: Deprecate record: Testing Bad record 2

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: 1.1±0.0 g/cm3
Boiling Point: 306.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 54.7±0.0 kJ/mol
Flash Point: 125.3±0.0 °C
Index of Refraction: 1.528
Molar Refractivity: 50.4±0.0 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 38.47
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 38.47
Polar Surface Area: 26 Å2
Polarizability: 20.0±0.0 10-24cm3
Surface Tension: 36.1±0.0 dyne/cm
Molar Volume: 163.6±0.0 cm3

Click to predict properties on the Chemicalize site






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