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1,2,4-Oxadiazole-5-propanoicacid, 3-phenyl-

  • Name 1,2,4-Oxadiazole-5-propanoicacid, 3-phenyl-
  • EINECSN/A
  • CAS No. 24088-59-3
  • Density1.299g/cm3
  • PSA76.22000
  • LogP1.75380
  • SolubilityN/A
  • Melting Point119-120 °C(Solv: chloroform (67-66-3))
  • FormulaC11H10 N2 O3
  • Boiling Point433.4°Cat760mmHg
  • Molecular Weight218.212
  • Flash Point215.9°C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 24088-59-3 (3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data10

1,2,4-Oxadiazole-5-propanoicacid, 3-phenyl- Specification

This chemical is called 1,2,4-Oxadiazole-5-propanoicacid, 3-phenyl-, and its systematic name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid. With the molecular formula of C11H10N2O3, its molecular weight is 218.2087. The CAS registry number of this chemical is 24088-59-3.

Other characteristics of the 1,2,4-Oxadiazole-5-propanoicacid, 3-phenyl- can be summarised as followings: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.59; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 65.22 Å2; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 55.07 cm3; (14)Molar Volume: 167.9 cm3; (15)Polarizability: 21.83×10-24cm3; (16)Surface Tension: 56.8 dyne/cm; (17)Density: 1.299 g/cm3; (18)Flash Point: 215.9 °C; (19)Enthalpy of Vaporization: 72.66 kJ/mol; (20)Boiling Point: 433.4 °C at 760 mmHg; (21)Vapour Pressure: 2.79E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)CCc1nc(no1)c2ccccc2
2.InChI: InChI=1/C11H10N2O3/c14-10(15)7-6-9-12-11(13-16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
3.InChIKey: UBSBRLFVQKHLPG-UHFFFAOYAE

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