ChemSpider 2D Image | 3-[3-(3-Ethoxy-3-oxopropyl)-5-(4-methoxybenzyl)phenyl]propanoic acid | C22H26O5

3-[3-(3-Ethoxy-3-oxopropyl)-5-(4-methoxybenzyl)phenyl]propanoic acid

  • Molecular FormulaC22H26O5
  • Average mass370.439 Da
  • Monoisotopic mass370.178009 Da
  • ChemSpider ID24598058

More details:

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

1,3-Benzenedipropanoic acid, 5-[(4-methoxyphenyl)methyl]-, monoethyl ester [ACD/Index Name]
1260817-90-0 [RN]
3-[3-(3-Ethoxy-3-oxopropyl)-5-(4-methoxybenzyl)phenyl]propanoic acid [ACD/IUPAC Name]
3-[3-(3-Ethoxy-3-oxopropyl)-5-(4-methoxybenzyl)phenyl]propansäure [German] [ACD/IUPAC Name]
3-[3-(3-ETHOXY-3-OXOPROPYL)-5-[(4-METHOXYPHENYL)METHYL]PHENYL]PROPANOIC ACID
Acide 3-[3-(3-éthoxy-3-oxopropyl)-5-(4-méthoxybenzyl)phényl]propanoïque [French] [ACD/IUPAC Name]
3-(3-(3-ethoxy-3-oxopropyl)-5-(4-methoxybenzyl)phenyl)propanoic acid
3-(3-(3-Ethoxy-3-oxopropyl)-5-(4-methoxybenzyl)phenyl)propanoicacid
3-(3-(4-methoxybenzyl)-5-(3-ethoxy-3-oxopropyl)phenyl)propanoic acid
3-{3-(3-Ethoxy-3-oxopropyl)-5-[(4-methoxyphenyl)methyl]phenyl}propanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 521.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 177.0±22.2 °C
Index of Refraction: 1.553
Molar Refractivity: 103.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 255.94
ACD/KOC (pH 5.5): 1035.15
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 4.04
ACD/KOC (pH 7.4): 16.35
Polar Surface Area: 73 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 322.6±3.0 cm3

Click to predict properties on the Chemicalize site


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