Found 1188 results

Search term: MF = 'C_{17}H_{18}O_{3}S'
ChemSpider 2D Image | 4-[2-(2-Thienyl)benzyl]tetrahydro-2H-pyran-4-carboxylic acid | C17H18O3S

4-[2-(2-Thienyl)benzyl]tetrahydro-2H-pyran-4-carboxylic acid

  • Molecular FormulaC17H18O3S
  • Average mass302.388 Da
  • Monoisotopic mass302.097656 Da
  • ChemSpider ID29313060

More details:

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

2H-Pyran-4-carboxylic acid, tetrahydro-4-[[2-(2-thienyl)phenyl]methyl]- [ACD/Index Name]
4-[2-(2-Thienyl)benzyl]tetrahydro-2H-pyran-4-carbonsäure [German] [ACD/IUPAC Name]
4-[2-(2-Thienyl)benzyl]tetrahydro-2H-pyran-4-carboxylic acid [ACD/IUPAC Name]
Acide 4-[2-(2-thiényl)benzyl]tétrahydro-2H-pyrane-4-carboxylique [French] [ACD/IUPAC Name]
1316221-73-4 [RN]
4-(2-(thiophen-2-yl)benzyl)tetrahydro-2H-pyran-4-carboxylic acid
4-(2-Thiophen-2-yl-benzyl)-tetrahydro-pyran-4-carboxylic acid
4-[(2-thiophen-2-ylphenyl)methyl]oxane-4-carboxylic acid
4-{[2-(THIOPHEN-2-YL)PHENYL]METHYL}OXANE-4-CARBOXYLIC ACID
MFCD18381457 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 496.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 253.8±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 24.82
ACD/KOC (pH 5.5): 158.60
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.57
Polar Surface Area: 75 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 241.2±3.0 cm3

Click to predict properties on the Chemicalize site


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