ChemSpider 2D Image | ?-isatropic acid | C18H16O4

?-isatropic acid

  • Molecular FormulaC18H16O4
  • Average mass296.317 Da
  • Monoisotopic mass296.104858 Da
  • ChemSpider ID34988714

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4S)-1-Phenyl-1,2,3,4-tetrahydro-1,4-naphthalenedicarboxylic acid [ACD/IUPAC Name]
(1S,4S)-1-Phenyl-1,2,3,4-tetrahydro-1,4-naphthalindicarbonsäure [German] [ACD/IUPAC Name]
?-isatropic acid
1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, (1S,4S)- [ACD/Index Name]
596-56-5 [RN]
Acide (1S,4S)-1-phényl-1,2,3,4-tétrahydro-1,4-naphtalènedicarboxylique [French] [ACD/IUPAC Name]
rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic acid
β-ISATROPIC ACID

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

9Q1D4AKN42 [DBID]
UNII:9Q1D4AKN42 [DBID]
UNII-9Q1D4AKN42 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 449.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 239.5±22.2 °C
Index of Refraction: 1.631
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.81
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 223.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement