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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
7,7a-dimethyl-3,3a,4,5-tetrahydrobenzofuran-2-one , 7,7a-dimethyl-3,3a,4,5-tetrahydro-1-benzofuran-2-one
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| Smiles: |
O=C1C[C@H]2[C@](O1)(C)C(=CCC2)C
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| InChi : |
InChI=1S/C10H14O2/c1-7-4-3-5-8-6-9(11)12-10(7,8)2/h4,8H,3,5-6H2,1-2H3/t8-,10-/m0/s1
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| InChi Key : |
InChIKey=HTKSQDWLTRSSFI-WPRPVWTQSA-N
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| PubChem ID : |
539813
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.737883
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
4.874
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| XLogP : |
1.274
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VDW volume : |
169.110924
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| Molecular weight : |
166.09938
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HOMO-LUMO gap : |
10.441000
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| Herb list : |
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| Refrences & Litretures: |
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