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Search term: 24718261 (Found by CSID)
ChemSpider 2D Image | 2-Hydroxy-6-[(4R)-4-hydroxy-2-methyl-5-oxo-1-cyclopenten-1-yl]-4-methoxybenzoic acid | C14H14O6

2-Hydroxy-6-[(4R)-4-hydroxy-2-methyl-5-oxo-1-cyclopenten-1-yl]-4-methoxybenzoic acid

  • Molecular FormulaC14H14O6
  • Average mass278.257 Da
  • Monoisotopic mass278.079041 Da
  • ChemSpider ID24718261

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Hydroxy-6-[(4R)-4-hydroxy-2-methyl-5-oxo-1-cyclopenten-1-yl]-4-methoxybenzoesäure [German] [ACD/IUPAC Name]
2-Hydroxy-6-[(4R)-4-hydroxy-2-methyl-5-oxo-1-cyclopenten-1-yl]-4-methoxybenzoic acid [ACD/IUPAC Name]
Acide 2-hydroxy-6-[(4R)-4-hydroxy-2-méthyl-5-oxo-1-cyclopentén-1-yl]-4-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-6-[(4R)-4-hydroxy-2-methyl-5-oxo-1-cyclopenten-1-yl]-4-methoxy- [ACD/Index Name]
Alternarienonic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519395/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 564.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 217.7±23.6 °C
Index of Refraction: 1.644
Molar Refractivity: 69.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 68.9±3.0 dyne/cm
Molar Volume: 190.6±3.0 cm3

Click to predict properties on the Chemicalize site


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