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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione , 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-quinone
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| Smiles: |
O=C1CC[C@@]2(O1)C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C
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| InChi : |
InChI=1S/C17H24O3/c1-15(2,3)11-9-17(8-7-13(18)20-17)10-12(14(11)19)16(4,5)6/h9-10H,7-8H2,1-6H3
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| InChi Key : |
InChIKey=ZTMZUYHXZPUDRF-UHFFFAOYSA-N
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| PubChem ID : |
545303
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| Rotatable bond count : |
2
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
3
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Ionization potential : |
10.005136
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
2.441
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| XLogP : |
3.573
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VDW volume : |
293.700125
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| Molecular weight : |
276.172545
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HOMO-LUMO gap : |
9.359000
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| Herb list : |
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| Refrences & Litretures: |
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