Found 1 result

Search term: 22369675 (Found by CSID)
ChemSpider 2D Image | 3-(2-Carboxy-3-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-2H-pyran-6-carboxylic acid | C15H12O8

3-(2-Carboxy-3-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-2H-pyran-6-carboxylic acid

  • Molecular FormulaC15H12O8
  • Average mass320.251 Da
  • Monoisotopic mass320.053223 Da
  • ChemSpider ID22369675

More details:

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

2H-Pyran-6-carboxylic acid, 3-(2-carboxy-3-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo- [ACD/Index Name]
3-(2-Carboxy-3-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-2H-pyran-6-carbonsäure [German] [ACD/IUPAC Name]
3-(2-Carboxy-3-hydroxy-5-methoxyphenyl)-4-methyl-2-oxo-2H-pyran-6-carboxylic acid [ACD/IUPAC Name]
Acide 3-(2-carboxy-3-hydroxy-5-méthoxyphényl)-4-méthyl-2-oxo-2H-pyrane-6-carboxylique [French] [ACD/IUPAC Name]
2H-PYRAN-6-CARBOXYLICACID, 3-(2-CARBOXY-3-HYDROXY-5-METHOXYPHENYL)-4-METHYL-2-OXO-
91868-93-8 [RN]
Alternarian acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 614.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 233.1±25.0 °C
Index of Refraction: 1.646
Molar Refractivity: 74.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): -2.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 72.3±3.0 dyne/cm
Molar Volume: 205.9±3.0 cm3

Click to predict properties on the Chemicalize site


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