ChemSpider 2D Image | 7-Hydroxy-3-[(1S)-1-hydroxy-3-oxobutyl]-4-oxo-4H-chromene-5-carboxylic acid | C14H12O7

7-Hydroxy-3-[(1S)-1-hydroxy-3-oxobutyl]-4-oxo-4H-chromene-5-carboxylic acid

  • Molecular FormulaC14H12O7
  • Average mass292.241 Da
  • Monoisotopic mass292.058289 Da
  • ChemSpider ID30819428

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4H-1-Benzopyran-5-carboxylic acid, 7-hydroxy-3-[(1S)-1-hydroxy-3-oxobutyl]-4-oxo- [ACD/Index Name]
7-Hydroxy-3-[(1S)-1-hydroxy-3-oxobutyl]-4-oxo-4H-chromen-5-carbonsäure [German] [ACD/IUPAC Name]
7-Hydroxy-3-[(1S)-1-hydroxy-3-oxobutyl]-4-oxo-4H-chromene-5-carboxylic acid [ACD/IUPAC Name]
Acide 7-hydroxy-3-[(1S)-1-hydroxy-3-oxobutyl]-4-oxo-4H-chromène-5-carboxylique [French] [ACD/IUPAC Name]
(1'S)-7-hydroxy-3-(1'-hydroxy-3'-oxobutyl)chromone-5-carboxylic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 631.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 243.8±25.0 °C
Index of Refraction: 1.645
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 75.5±3.0 dyne/cm
Molar Volume: 189.3±3.0 cm3

Click to predict properties on the Chemicalize site


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