ChemSpider 2D Image | Benzyl methyl (1R,2S)-4-oxo-1,2-cyclopentanedicarboxylate | C15H16O5

Benzyl methyl (1R,2S)-4-oxo-1,2-cyclopentanedicarboxylate

  • Molecular FormulaC15H16O5
  • Average mass276.284 Da
  • Monoisotopic mass276.099762 Da
  • ChemSpider ID29364744
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-4-Oxo-1,2-cyclopentanedicarboxylate de benzyle et de méthyle [French] [ACD/IUPAC Name]
1,2-Cyclopentanedicarboxylic acid, 4-oxo-, methyl phenylmethyl ester, (1S,2R)- [ACD/Index Name]
Benzyl methyl (1R,2S)-4-oxo-1,2-cyclopentanedicarboxylate [ACD/IUPAC Name]
Benzyl-methyl-(1R,2S)-4-oxo-1,2-cyclopentandicarboxylat [German] [ACD/IUPAC Name]
(1R,2S)-1-benzyl 2-methyl 4-oxocyclopentane-1,2-dicarboxylate
(cis)-1-benzyl 2-methyl 4-oxocyclopentane-1,2-dicarboxylate
164916-54-5 [RN]
2-O-benzyl 1-O-methyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
Benzyl methyl (1R,2S)-4-oxocyclopentane-1,2-dicarboxylate

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

  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-41626]
    • Safety:

      20/21/22 Novochemy [NC-41626]
      20/21/36/37/39 Novochemy [NC-41626]
      GHS07; GHS09 Novochemy [NC-41626]
      H332; H403 Novochemy [NC-41626]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-41626]
      Warning Novochemy [NC-41626]
      Xn Novochemy [NC-41626]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 412.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 183.2±28.8 °C
Index of Refraction: 1.542
Molar Refractivity: 69.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.28
ACD/KOC (pH 5.5): 171.54
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.28
ACD/KOC (pH 7.4): 171.54
Polar Surface Area: 70 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 221.1±3.0 cm3

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