Found 1 result

Search term: 26617211 (Found by CSID)
ChemSpider 2D Image | 2,6,7-Trihydroxy-3-methyl-1,4-naphthoquinone | C11H8O5

2,6,7-Trihydroxy-3-methyl-1,4-naphthoquinone

  • Molecular FormulaC11H8O5
  • Average mass220.178 Da
  • Monoisotopic mass220.037170 Da
  • ChemSpider ID26617211

More details:

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

1,4-Naphthalenedione, 2,6,7-trihydroxy-3-methyl- [ACD/Index Name]
2,6,7-Trihydroxy-3-methyl-1,4-naphthochinon [German] [ACD/IUPAC Name]
2,6,7-Trihydroxy-3-methyl-1,4-naphthoquinone [ACD/IUPAC Name]
2,6,7-Trihydroxy-3-méthyl-1,4-naphtoquinone [French] [ACD/IUPAC Name]
2,6,7-trihydroxy-3-methylnaphthalene-1,4-dione
1333407-58-1 [RN]
  • Miscellaneous

    • Chemical Class:

      A naphthoquinone that is naphthalene-1,4-dione substituted by hydroxy groups at positions 2, 6 and 7 and a methyl group at position 3. It has been isolated from <ital>Penicillium purpurogenum</ital>. ChEBI CHEBI:69474
      A naphthoquinone that is naphthalene-1,4-dione substituted by hydroxy groups at positions 2, 6 and 7 and a methyl group at position 3. It has been isolated from Penicillium purpurogenum. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69474, CHEBI:69474

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

Density: 1.7±0.1 g/cm3
Boiling Point: 555.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 304.0±26.6 °C
Index of Refraction: 1.732
Molar Refractivity: 53.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.13
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 92.6±3.0 dyne/cm
Molar Volume: 132.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement