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CAS No.: | 87441-73-4 |
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Name: | 11(13)-Dehydroivaxillin |
Molecular Structure: | |
Formula: | C15H20O4 |
Molecular Weight: | 264.316 |
Synonyms: | 11,13-Dehydroeriolin;11(13)-Dehydroivaxillin; |
Density: | 1.23g/cm3 |
Boiling Point: | 415 °C at 760 mmHg |
Flash Point: | 185.2 °C |
PSA: | 51.36000 |
LogP: | 1.97320 |
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The Eriolin, dehydro-11,13, with CAS registry number 87441-73-4, has the systematic name of 1a,7a-dimethyl-5-methylidenedecahydrobisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one. Besides this, it is also called 11(13)-Dehydroivaxillin. And the chemical formula of this chemical is C15H20O4.
Physical properties of Eriolin, dehydro-11,13: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 51.36 Å2; (7)Index of Refraction: 1.546; (8)Molar Refractivity: 68.13 cm3; (9)Molar Volume: 214.8 cm3; (10)Polarizability: 27.01×10-24cm3; (11)Surface Tension: 42.5 dyne/cm; (12)Density: 1.23 g/cm3; (13)Flash Point: 185.2 °C; (14)Enthalpy of Vaporization: 66.8 kJ/mol; (15)Boiling Point: 415 °C at 760 mmHg; (16)Vapour Pressure: 4.27E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1OC2C(C\1=C)CC4OC4(C)CCC3OC3(C2)C
(2)InChI: InChI=1/C15H20O4/c1-8-9-6-12-14(2,19-12)5-4-11-15(3,18-11)7-10(9)17-13(8)16/h9-12H,1,4-7H2,2-3H3
(3)InChIKey: SSZZFAJCDFWCJW-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C15H20O4/c1-8-9-6-12-14(2,19-12)5-4-11-15(3,18-11)7-10(9)17-13(8)16/h9-12H,1,4-7H2,2-3H3
(5)Std. InChIKey: SSZZFAJCDFWCJW-UHFFFAOYSA-N