ChemSpider 2D Image | (2S)-2-[(4-Hydroxybenzoyl)oxy]succinic acid | C11H10O7

(2S)-2-[(4-Hydroxybenzoyl)oxy]succinic acid

  • Molecular FormulaC11H10O7
  • Average mass254.193 Da
  • Monoisotopic mass254.042648 Da
  • ChemSpider ID57536870

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(4-Hydroxybenzoyl)oxy]bernsteinsäure [German] [ACD/IUPAC Name]
(2S)-2-[(4-Hydroxybenzoyl)oxy]succinic acid [ACD/IUPAC Name]
Acide (2S)-2-[(4-hydroxybenzoyl)oxy]succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[(4-hydroxybenzoyl)oxy]-, (2S)- [ACD/Index Name]
(2S)-2-[(4-Hydroxybenzoyl)oxy]butanedioic acid
(S)-2-((4-Hydroxybenzoyl)oxy)succinic acid
389141-47-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 510.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 202.7±22.2 °C
Index of Refraction: 1.606
Molar Refractivity: 56.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 76.4±3.0 dyne/cm
Molar Volume: 164.9±3.0 cm3

Click to predict properties on the Chemicalize site


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