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Search term: KZPRFEGRESQBAV-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2,2'-[5-(2-Thienyl)-1,3-phenylene]diacetic acid | C14H12O4S

2,2'-[5-(2-Thienyl)-1,3-phenylene]diacetic acid

  • Molecular FormulaC14H12O4S
  • Average mass276.308 Da
  • Monoisotopic mass276.045624 Da
  • ChemSpider ID58874497

More details:

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

1,3-Benzenediacetic acid, 5-(2-thienyl)- [ACD/Index Name]
2,2'-(5-(Thiophen-2-Yl)-1,3-Phenylene)diacetic Acid
2,2'-[5-(2-Thienyl)-1,3-phenylen]diessigsäure [German] [ACD/IUPAC Name]
2,2'-[5-(2-Thienyl)-1,3-phenylene]diacetic acid [ACD/IUPAC Name]
Acide 2,2'-[5-(2-thiényl)-1,3-phénylène]diacétique [French] [ACD/IUPAC Name]
LNX

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

Density: 1.4±0.1 g/cm3
Boiling Point: 495.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.2±27.3 °C
Index of Refraction: 1.637
Molar Refractivity: 71.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.82
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 199.1±3.0 cm3

Click to predict properties on the Chemicalize site


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