ChemSpider 2D Image | Benzyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate | C15H17NO3

Benzyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate

  • Molecular FormulaC15H17NO3
  • Average mass259.300 Da
  • Monoisotopic mass259.120850 Da
  • ChemSpider ID25948262

More details:






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

5-Oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate [ACD/IUPAC Name]
Benzyl-5-oxohexahydrocyclopenta[c]pyrrol-2(1H)-carboxylat [German] [ACD/IUPAC Name]
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-5-oxo-, phenylmethyl ester [ACD/Index Name]
? benzyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
[148404-29-9]
1217315-21-3 [RN]
148404-29-9 [RN]
'148404-29-9
5-Oxo-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid benzyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-28736]
    • Safety:

      20/21/22 Novochemy [NC-28736]
      20/21/36/37/39 Novochemy [NC-28736]
      GHS07; GHS09 Novochemy [NC-28736]
      H332; H403 Novochemy [NC-28736]
      P332+P313; P305+P351+P338 Novochemy [NC-28736]
      TBC SynQuest 4H56-1-905
      Warning Novochemy [NC-28736]
      Xn Novochemy [NC-28736]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 415.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.2±28.7 °C
Index of Refraction: 1.580
Molar Refractivity: 69.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.76
ACD/KOC (pH 5.5): 356.11
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.76
ACD/KOC (pH 7.4): 356.11
Polar Surface Area: 47 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 208.8±3.0 cm3

Click to predict properties on the Chemicalize site






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