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Search term: RAUFRXOSBVUCEA (Found by InChIKey (skeleton match))

ChemSpider 2D Image | ?-hydroxyorcein | C21H17NO5


  • Molecular FormulaC21H17NO5
  • Average mass363.363 Da
  • Monoisotopic mass363.110687 Da
  • ChemSpider ID32698231

More details:

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

3H-Phenoxazin-3-one, 8-(2,4-dihydroxy-6-methylphenyl)-7-hydroxy-1,9-dimethyl- [ACD/Index Name]
8-(2,4-Dihydroxy-6-methylphenyl)-7-hydroxy-1,9-dimethyl-3H-phenoxazin-3-on [German] [ACD/IUPAC Name]
8-(2,4-Dihydroxy-6-methylphenyl)-7-hydroxy-1,9-dimethyl-3H-phenoxazin-3-one [ACD/IUPAC Name]
8-(2,4-Dihydroxy-6-méthylphényl)-7-hydroxy-1,9-diméthyl-3H-phénoxazin-3-one [French] [ACD/IUPAC Name]
1400-62-0 [RN]
215-750-6 [EINECS]

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

  • Miscellaneous
    • Chemical Class:

      A member of the class of phenoxazines that is 1,9-dimethyl-3<element>H</element>-phenoxazin-3-one carrying additional hydroxy and 2,4-dihydroxy-6-methylphenyl substituents at positions 7 and 8 respect ively. A component of orcein, a mixture of dyes isolated from lichens. ChEBI CHEBI:90308

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

Density: 1.4±0.1 g/cm3
Boiling Point: 579.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 304.5±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 96.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.74
ACD/KOC (pH 5.5): 726.27
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 66.39
ACD/KOC (pH 7.4): 691.37
Polar Surface Area: 99 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 254.2±7.0 cm3

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