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Search term: DFKZAFCIROLDRJ-GHMZBOCLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | {(1R,2R)-2-[4-(1H-Tetrazol-5-yl)benzoyl]cyclopentyl}malonic acid | C16H16N4O5

{(1R,2R)-2-[4-(1H-Tetrazol-5-yl)benzoyl]cyclopentyl}malonic acid

  • Molecular FormulaC16H16N4O5
  • Average mass344.322 Da
  • Monoisotopic mass344.112061 Da
  • ChemSpider ID115009628

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(1R,2R)-2-[4-(1H-Tetrazol-5-yl)benzoyl]cyclopentyl}malonic acid [ACD/IUPAC Name]
{(1R,2R)-2-[4-(1H-Tetrazol-5-yl)benzoyl]cyclopentyl}malonsäure [German] [ACD/IUPAC Name]
Acide {(1R,2R)-2-[4-(1H-tétrazol-5-yl)benzoyl]cyclopentyl}malonique [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[(1R,2R)-2-[4-(1H-tetrazol-5-yl)benzoyl]cyclopentyl]- [ACD/Index 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: 689.8±63.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 370.9±33.7 °C
Index of Refraction: 1.640
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -2.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 84.4±3.0 dyne/cm
Molar Volume: 230.4±3.0 cm3

Click to predict properties on the Chemicalize site


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