ChemSpider 2D Image | 2'-(2-Methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid | C17H21NO4

2'-(2-Methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid

  • Molecular FormulaC17H21NO4
  • Average mass303.353 Da
  • Monoisotopic mass303.147064 Da
  • ChemSpider ID21482154

More details:

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

2'-(2-Methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carbonsäure [German] [ACD/IUPAC Name]
2'-(2-Methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid [ACD/IUPAC Name]
Acide 2'-(2-méthoxyéthyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylique [French] [ACD/IUPAC Name]
Spiro[cyclopentane-1,3'(2'H)-isoquinoline]-4'-carboxylic acid, 1',4'-dihydro-2'-(2-methoxyethyl)-1'-oxo- [ACD/Index Name]
1217531-62-8 [RN]
2'(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid
2'-(2-Methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro-[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid
2'-(2-methoxyethyl)-1'-oxo-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxylic acid
2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxylic acid
MFCD11558241 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 508.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 261.1±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 81.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.47
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 237.5±5.0 cm3

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