ChemSpider 2D Image | (2s)-6-[(E)-[(2e)-2-Hydroxyimino-3h-Inden-1-Ylidene]methyl]-2-(3-Hydroxy-3-Oxopropyl)-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid | C22H19NO7

(2s)-6-[(E)-[(2e)-2-Hydroxyimino-3h-Inden-1-Ylidene]methyl]-2-(3-Hydroxy-3-Oxopropyl)-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid

  • Molecular FormulaC22H19NO7
  • Average mass409.389 Da
  • Monoisotopic mass409.116150 Da
  • ChemSpider ID35033950

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(2-Carboxyethyl)-6-{(E)-[(2E)-2-(hydroxyimino)-2,3-dihydro-1H-inden-1-yliden]methyl}-2,3-dihydro-1,4-benzodioxin-5-carbonsäure [German] [ACD/IUPAC Name]
(2S)-2-(2-Carboxyethyl)-6-{(E)-[(2E)-2-(hydroxyimino)-2,3-dihydro-1H-inden-1-ylidene]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid [ACD/IUPAC Name]
(2s)-6-[(E)-[(2e)-2-Hydroxyimino-3h-Inden-1-Ylidene]methyl]-2-(3-Hydroxy-3-Oxopropyl)-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid
1,4-Benzodioxin-2-propanoic acid, 5-carboxy-6-[(E)-[(2E)-2,3-dihydro-2-(hydroxyimino)-1H-inden-1-ylidene]methyl]-2,3-dihydro-, (2S)- [ACD/Index Name]
Acide (2S)-2-(2-carboxyéthyl)-6-{(E)-[(2E)-2-(hydroxyimino)-2,3-dihydro-1H-indén-1-ylidène]méthyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 709.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 382.8±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 103.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.99
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 276.6±7.0 cm3

Click to predict properties on the Chemicalize site


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