Product Name

  • Name

    9-(3-Hydroxyphenyl)-8-oxa-10-thiabicyclo[4.4.0]deca-1,3,5-trien-7-one

  • EINECS
  • CAS No. 7144-28-7
  • Density 1.389g/cm3
  • Solubility
  • Melting Point
  • Formula C14H10O3S
  • Boiling Point 510.3 °C at 760 mmHg
  • Molecular Weight 258.2924
  • Flash Point 262.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 7144-28-7 (9-(3-Hydroxyphenyl)-8-oxa-10-thiabicyclo[4.4.0]deca-1,3,5-trien-7-one)
  • Hazard Symbols
  • Synonyms 9-(3-hydroxyphenyl)-8-oxa-10-thiabicyclo[4.4.0]deca-1,3,5-trien-7-one
  • PSA 71.83000
  • LogP 3.35350

9-(3-Hydroxyphenyl)-8-oxa-10-thiabicyclo[4.4.0]deca-1,3,5-trien-7-one Specification

The 9-(3-Hydroxyphenyl)-8-oxa-10-thiabicyclo[4.4.0]deca-1,3,5-trien-7-one, with CAS registry number 7144-28-7, has the systematic name of 2-(3-hydroxyphenyl)-4H-3,1-benzoxathiin-4-one. And the chemical formula of this chemical is C14H10O3S. Its molecular weight is 258.2924.

Physical properties of 9-(3-Hydroxyphenyl)-8-oxa-10-thiabicyclo[4.4.0]deca-1,3,5-trien-7-one: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 60.83 Å2; (7)Index of Refraction: 1.677; (8)Molar Refractivity: 70.03 cm3; (9)Molar Volume: 185.8 cm3; (10)Polarizability: 27.76×10-24cm3; (11)Surface Tension: 60 dyne/cm; (12)Density: 1.389 g/cm3; (13)Flash Point: 262.4 °C; (14)Enthalpy of Vaporization: 81.06 kJ/mol; (15)Boiling Point: 510.3 °C at 760 mmHg; (16)Vapour Pressure: 4.9E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC(Sc1ccccc12)c3cccc(O)c3
(2)InChI: InChI=1/C14H10O3S/c15-10-5-3-4-9(8-10)14-17-13(16)11-6-1-2-7-12(11)18-14/h1-8,14-15H
(3)InChIKey: OCKPKHNGOMRNNC-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C14H10O3S/c15-10-5-3-4-9(8-10)14-17-13(16)11-6-1-2-7-12(11)18-14/h1-8,14-15H
(5)Std. InChIKey: OCKPKHNGOMRNNC-UHFFFAOYSA-N

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