Found 1 result

Search term: 123960105 (Found by CSID)
ChemSpider 2D Image | 6-Hydroxy-3-[5-hydroxy-2-(methoxycarbonyl)-3-(3-oxopentyl)phenoxy]-4-methoxy-2-pentylbenzoic acid | C26H32O9

6-Hydroxy-3-[5-hydroxy-2-(methoxycarbonyl)-3-(3-oxopentyl)phenoxy]-4-methoxy-2-pentylbenzoic acid

  • Molecular FormulaC26H32O9
  • Average mass488.527 Da
  • Monoisotopic mass488.204620 Da
  • ChemSpider ID123960105

More details:

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

6-Hydroxy-3-[5-hydroxy-2-(methoxycarbonyl)-3-(3-oxopentyl)phenoxy]-4-methoxy-2-pentylbenzoesäure [German] [ACD/IUPAC Name]
6-Hydroxy-3-[5-hydroxy-2-(methoxycarbonyl)-3-(3-oxopentyl)phenoxy]-4-methoxy-2-pentylbenzoic acid [ACD/IUPAC Name]
Acide 6-hydroxy-3-[5-hydroxy-2-(méthoxycarbonyl)-3-(3-oxopentyl)phénoxy]-4-méthoxy-2-pentylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 6-hydroxy-3-[5-hydroxy-2-(methoxycarbonyl)-3-(3-oxopentyl)phenoxy]-4-methoxy-2-pentyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 652.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 214.0±25.0 °C
Index of Refraction: 1.569
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 7.95
ACD/KOC (pH 5.5): 22.37
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 3.63
ACD/KOC (pH 7.4): 10.21
Polar Surface Area: 140 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 393.1±3.0 cm3

Click to predict properties on the Chemicalize site


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