InChIKey | KYWWSSTVQKHWTF-UHFFFAOYSA-N |
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Inchi | InChI=1S/C17H26O2/c1-16(2,3)13-10-12(8-7-9-18)11-14(15(13)19)17(4,5)6/h9-11,19H,7-8H2,1-6H3 |
SMILES | CC(C)(C)C1=C(C(=CC(=C1)CCC=O)C(C)(C)C)O |
PSA | 37.3 |
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精确分子量 | 262.19338 |
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氢键供体数量 | 1 |
氢键受体数量 | 2 |
可旋转化学键数量 | 5 |
重原子数量 | 19 |
SMILES:O=CCCC1=CC(C(C)(C)C)=C(O)C(=C1)C(C)(C)C
ExSMILES:262.19338
InChI:
InChIKey:
IUPACName:
分子式:FormulaHtmlC17H26O2