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ChemSpider 2D Image | Benzoyl hydrogen sulfate | C7H6O5S

Benzoyl hydrogen sulfate

  • Molecular FormulaC7H6O5S
  • Average mass202.184 Da
  • Monoisotopic mass201.993591 Da
  • ChemSpider ID15650432

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

Benzoyl hydrogen sulfate [ACD/IUPAC Name]
Benzoylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de benzoyle [French] [ACD/IUPAC Name]
Methanone, phenyl(sulfooxy)- [ACD/Index Name]
72021-45-5 [RN]
MFCD10566372
sulfophenylcarboxylic acid

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

Density: 1.6±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 43.6±0.0 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): -2.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 17.3±0.0 10-24cm3
Surface Tension: 68.6±0.0 dyne/cm
Molar Volume: 129.4±0.0 cm3

Click to predict properties on the Chemicalize site


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