计算溶液所需的质量、体积或浓度。
活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
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N464382-1kg |
1kg |
期货 ![]() |
| |
N464382-4kg |
4kg |
期货 ![]() |
|
英文别名 | 1-Acetoxynonane | SCHEMBL115437 | Nonyl alcohol, acetate | CHEBI:87511 | A0041 | DTXCID2027123 | GJQIMXVRFNLMTB-UHFFFAOYSA-N | Acetate C-9 | Acetic acid, nonyl ester | NCGC00256685-01 | Nonyl alcohol, acetate (6CI) | AI3-11583 | CS-0334128 | FT-0621754 | |
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规格或纯度 | FCC, ≥97% |
英文名称 | Nonyl acetate |
产品介绍 |
Description Nonyl acetate is one of the key volatile flavor compounds of citrus fruits, mainly orange and lemon. |
作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
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分子类型 | 小分子 |
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IUPAC Name | nonyl acetate |
INCHI | InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3 |
InChi Key | GJQIMXVRFNLMTB-UHFFFAOYSA-N |
Canonical SMILES | CCCCCCCCCOC(=O)C |
Isomeric SMILES | CCCCCCCCCOC(=O)C |
RTECS | AJ1382500 |
PubChem CID | 8918 |
分子量 | 186.3 |
Reaxy-Rn | 1759352 |
密度 | 0.864g/mL at 25°C (lit.) |
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折光率 | 1.42 |
闪点(℉) | 108°C(lit.) |
闪点(℃) | 108°C(lit.) |
沸点 | 228 °C |
分子量 | 186.290 g/mol |
XLogP3 | 4.000 |
氢键供体数Hydrogen Bond Donor Count | 0 |
氢键受体数Hydrogen Bond Acceptor Count | 2 |
可旋转键计数Rotatable Bond Count | 9 |
精确质量Exact Mass | 186.162 Da |
单同位素质量Monoisotopic Mass | 186.162 Da |
拓扑极表面积Topological Polar Surface Area | 26.300 Ų |
重原子数Heavy Atom Count | 13 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 121.000 |
同位素原子数Isotope Atom Count | 0 |
定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
所有立体化学键的总数The total count of all stereochemical bonds | 0 |
共价键合单元计数Covalently-Bonded Unit Count | 1 |
RTECS | AJ1382500 |
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Reaxy-Rn | 1759352 |
Merck Index | 6678 |
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