ChemSpider 2D Image | CAY10502 | C30H37NO7

CAY10502

  • Molecular FormulaC30H37NO7
  • Average mass523.617 Da
  • Monoisotopic mass523.257019 Da
  • ChemSpider ID9845624

More details:

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

1-{3-[4-(Decyloxy)phenoxy]-2-oxopropyl}-3-(methoxycarbonyl)-1H-indol-5-carbonsäure [German] [ACD/IUPAC Name]
1-{3-[4-(Decyloxy)phenoxy]-2-oxopropyl}-3-(methoxycarbonyl)-1H-indole-5-carboxylic acid [ACD/IUPAC Name]
1H-Indole-3,5-dicarboxylic acid, 1-[3-[4-(decyloxy)phenoxy]-2-oxopropyl]-, 3-methyl ester [ACD/Index Name]
888320-29-4 [RN]
Acide 1-{3-[4-(décyloxy)phénoxy]-2-oxopropyl}-3-(méthoxycarbonyl)-1H-indole-5-carboxylique [French] [ACD/IUPAC Name]
CAY10502
compound 57 [PMID: 16610804]
1-[3-(4-decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid
1-[3-[4-(decyloxy)phenoxy]-2-oxopropyl]-1H-indole-3,5-dicarboxylic acid, 3-methyl ester
1-{3-[4-(DECYLOXY)PHENOXY]-2-OXOPROPYL}-3-(METHOXYCARBONYL)INDOLE-5-CARBOXYLIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 693.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 373.3±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 144.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 20147.79
ACD/KOC (pH 5.5): 16187.17
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 663.46
ACD/KOC (pH 7.4): 533.04
Polar Surface Area: 104 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 447.0±7.0 cm3

Click to predict properties on the Chemicalize site


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