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ScientificNameLabel
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6,7-Dimethyl 1,2,3,5,8,8alpha-hexahydronaphthalene
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| PHCD compound ID : |
4640
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| Chemical Names : |
6,7-Dimethyl 1,2,3,5,8,8alpha-hexahydronaphthalene
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| Molecular Formula : |
C12H18
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| Molecular Weight : |
162.140851
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More Details :
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| Names & Synonyms: |
6,7-dimethyl-1,2,3,5,8,8a-hexahydronaphthalene
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| Smiles: |
CC1=C(C)C[C@@H]2C(=CCCC2)C1
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| InChi : |
InChI=1S/C12H18/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h5,12H,3-4,6-8H2,1-2H3/t12-/m1/s1
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| InChi Key : |
InChIKey=JYPYONFSJRKPQY-GFCCVEGCSA-N
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| PubChem ID : |
570683
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
8.802567
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.567
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| XLogP : |
3.954
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VDW volume : |
186.122439
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| Molecular weight : |
162.140851
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HOMO-LUMO gap : |
10.220000
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| Herb list : |
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