Found 77 results

Search term: MF = 'C_{21}H_{28}O_{3}S'
ChemSpider 2D Image | 7-{2-[3-(4-Methoxyphenyl)propyl]-3-thienyl}heptanoic acid | C21H28O3S

7-{2-[3-(4-Methoxyphenyl)propyl]-3-thienyl}heptanoic acid

  • Molecular FormulaC21H28O3S
  • Average mass360.510 Da
  • Monoisotopic mass360.175903 Da
  • ChemSpider ID23193808

More details:

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

3-Thiopheneheptanoic acid, 2-[3-(4-methoxyphenyl)propyl]- [ACD/Index Name]
7-{2-[3-(4-Methoxyphenyl)propyl]-3-thienyl}heptanoic acid [ACD/IUPAC Name]
7-{2-[3-(4-Methoxyphenyl)propyl]-3-thienyl}heptansäure [German] [ACD/IUPAC Name]
7-{2-[3-(4-methoxyphenyl)propyl]thiophen-3-yl}heptanoic acid
Acide 7-{2-[3-(4-méthoxyphényl)propyl]-3-thiényl}heptanoïque [French] [ACD/IUPAC Name]
7-{2-[3-(4-Methoxy-phenyl)-propyl]-thiophen-3-yl}-heptanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL326000/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 516.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 266.1±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 1791.92
ACD/KOC (pH 5.5): 4396.02
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 28.72
ACD/KOC (pH 7.4): 70.46
Polar Surface Area: 75 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 322.9±3.0 cm3

Click to predict properties on the Chemicalize site


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