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Basic Information
CAS No.: 73069-14-4
Name: 2-Atractylenolide
Molecular Structure:
Molecular Structure of 73069-14-4 (2-Atractylenolide)
Formula: C15H20O2
Molecular Weight: 232.323
Synonyms: 2-ATRACTYLENOLIDE;ASTEROLIDE
Density: 1.092g/cm3
Melting Point: 150-152 °C(Solv: ethyl ether (60-29-7))
Boiling Point: 383.745oC at 760 mmHg
Flash Point: 161.253oC
PSA: 26.30000
LogP: 3.38470
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Chemistry

Molecular Structure of 2-Atractylenolide (CAS No.73069-14-4):

Molecular Formula: C15H20O2 
Molecular Weight: 232.3181
CAS No: 73069-14-4
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.535
Molar Refractivity: 66.185 cm3
Molar Volume: 212.75 cm3
Surface Tension: 37.262 dyne/cm
Density: 1.092 g/cm3
Flash Point: 161.253 °C
Enthalpy of Vaporization: 63.233 kJ/mol
Boiling Point: 383.745 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
InChI: InChI=1/C15H20O2/c1-9-11-6-4-5-7-15(11,3)8-12-13(9)10(2)14(16)17-12/h11-12H,1,4-8H2,2-3H3/t11-,12+,15-/m1/s1
InChIKey: WVOSZPPZKISKDJ-TYNCELHUBX
Std. InChI: InChI=1S/C15H20O2/c1-9-11-6-4-5-7-15(11,3)8-12-13(9)10(2)14(16)17-12/h11-12H,1,4-8H2,2-3H3/t11-,12+,15-/m1/s1
Std. InChIKey: WVOSZPPZKISKDJ-TYNCELHUSA-N

Specification

  2-Atractylenolide (CAS No.73069-14-4), its synonyms are (4aS,8aR,9aS)-3,8a-Dimethyl-4-methylene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one ; Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-3,8a-dimethyl-4-methylene-, (4aS,8aR,9aS)- .