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ChemSpider 2D Image | Pyrogallol | C6H6O3

Pyrogallol

  • Molecular FormulaC6H6O3
  • Average mass126.110 Da
  • Monoisotopic mass126.031694 Da
  • ChemSpider ID1028

More details:






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

1,2,3-Benzenetriol [ACD/Index Name] [ACD/IUPAC Name]
1,2,3-Trihydroxybenzen
1,2,3-Trihydroxybenzene
1,2,3-TRIHYDROXY-BENZENE
201-762-9 [EINECS]
4-06-00-07327 [Beilstein]
525-52-0 [RN]
5-Benzenetriol
87-66-1 [RN]
Acetpyrogall
More...

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

C.I. 76515 [DBID]
HSDB 794 [DBID]
AI3-00709 [DBID]
BRN 0907431 [DBID]
CCRIS 1940 [DBID]
NSC 5035 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.0 g/cm3
Boiling Point: 309.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 57.2±0.0 kJ/mol
Flash Point: 164.4±0.0 °C
Index of Refraction: 1.676
Molar Refractivity: 31.9±0.0 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.40
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.77
Polar Surface Area: 61 Å2
Polarizability: 12.6±0.0 10-24cm3
Surface Tension: 78.6±0.0 dyne/cm
Molar Volume: 84.7±0.0 cm3

Click to predict properties on the Chemicalize site





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