ChemSpider 2D Image | TRC-150094 | C19H24N2O3

TRC-150094

  • Molecular FormulaC19H24N2O3
  • Average mass328.405 Da
  • Monoisotopic mass328.178680 Da
  • ChemSpider ID28534873

More details:

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

1092551-88-6 [RN]
1H-Pyrazole-1-propanoic acid, 4-[(2,3-dihydro-7-hydroxy-6-methyl-1H-inden-4-yl)methyl]-3,5-dimethyl- [ACD/Index Name]
3-(4-((7-Hydroxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl)-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
3-{4-[(7-Hydroxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}propanoic acid [ACD/IUPAC Name]
3-{4-[(7-Hydroxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{4-[(7-hydroxy-6-méthyl-2,3-dihydro-1H-indén-4-yl)méthyl]-3,5-diméthyl-1H-pyrazol-1-yl}propanoïque [French] [ACD/IUPAC Name]
TRC-150094
[1092551-88-6] [RN]
3-[4-[(7-Hydroxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]propanoic acid
4-[(2,3-dihydro-7-hydroxy-6-methyl-1H-inden-4-yl)methyl]-3,5-dimethyl-1H-Pyrazole-1-propanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

B93608MTGW [DBID]
UNII:B93608MTGW [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: 534.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 277.1±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 91.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 15.83
ACD/KOC (pH 5.5): 112.13
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.85
Polar Surface Area: 75 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 257.6±7.0 cm3

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