Deprecated ChemSpider Record

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ChemSpider 2D Image | CSID:28984 | C8H8O2

  • Molecular FormulaC8H8O2
  • Average mass136.148 Da
  • Monoisotopic mass136.052429 Da
  • ChemSpider ID28984

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

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

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

Caswell No. 051E [DBID]
FEMA NO. 2670 [DBID]
HSDB 2641 [DBID]
AI3-00223 [DBID]
CCRIS 821 [DBID]
NSC 5590 [DBID]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 248.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 48.5±0.0 kJ/mol
Flash Point: 108.9±0.0 °C
Index of Refraction: 1.547
Molar Refractivity: 39.7±0.0 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.54
ACD/KOC (pH 5.5): 200.38
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.54
ACD/KOC (pH 7.4): 200.38
Polar Surface Area: 26 Å2
Polarizability: 15.7±0.0 10-24cm3
Surface Tension: 37.2±0.0 dyne/cm
Molar Volume: 125.1±0.0 cm3

Click to predict properties on the Chemicalize site


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