2570-03-8 ((Methyl dihydrojasmonate, (+-)-trans-)

快速询单

结构式：

Methyl dihydrojasmonate, (+-)-trans-MOL文件

CAS号：

2570-03-8

英文名称：

Methyl dihydrojasmonate, (+-)-trans-

分子式：

C₁₃H₂₂O₃

分子量：

226.311984539032

Methyl dihydrojasmonate, (+-)-trans-(2570-03-8)名称与标识符

名称

英文别名：

methyl dihydrojasmonate (trans);Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1R,2R)-rel-;METHYL (+)-DIHYDROJASMONATE;SCHEMBL17517758;TRANS-HEDIONE;43CCU17TXN;FEMA NO. 3408, (+)-TRANS-;CYCLOPENTANEACETIC ACID, 3-OXO-2-PENTYL-, METHYL ESTER, TRANS-;Methyl dihydrojasmonate, (+-)-trans-;Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1S,2S)-;(+/-)-METHYL DIHYDROJASMONATE;methyl 2-[(1S,2S)-3-oxo-2-pentylcyclopentyl]acetate;Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1S-trans)-;Methyl dihydrojasmonate, trans-(+)-;(+)-methyldihydroepijasmonate;(+)-Methyl dihydroepijasmonate;METHYL DIHYDROJASMONATE (+)-(1S,2S)-FORM [MI];Methyl (+-)-dihydrojasmonate;FEMA No. 3408, (+-)-trans-;METHYL DIHYDROJASMONATE (+)-(1S,2S)-FORM;6F0IU8Y5DL;151716-36-8;CYCLOPENTANEACETIC ACID, 3-OXO-2-PENTYL-, METHYL ESTER, TRANS-(+/-)-;DTXSID40164857;Q27264763;2570-03-8;(+/-)-DIHYDROJASMONIC ACID METHYL ESTER;UNII-6F0IU8Y5DL;METHYL DL-DIHYDROJASMONATE;KVWWIYGFBYDJQC-QWRGUYRKSA-N;trans-(+)-methyl dihydrojasmonate;METHYL DIHYDROJASMONATE, TRANS-(+/-)-;

标识符

InChIKey：

KVWWIYGFBYDJQC-QWRGUYRKSA-N

Inchi：

1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11-/m0/s1

SMILES：

O=C1CC[C@@H](CC(=O)OC)[C@@H]1CCCCC

Methyl dihydrojasmonate, (+-)-trans-(2570-03-8)物化性质

计算特性

精确分子量 : 226.15689456g/mol
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 7
同位素质量 : 226.15689456g/mol
重原子数量 : 16
复杂度 : 248
同位素原子数量 : 0
确定原子立构中心数量 : 2
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.7
拓扑分子极性表面积 : 43.4Å²

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2570-03-8 ((Methyl dihydrojasmonate, (+-)-trans-)

Methyl dihydrojasmonate, (+-)-trans-(2570-03-8)名称与标识符

名称

标识符

Methyl dihydrojasmonate, (+-)-trans-(2570-03-8)物化性质

计算特性

Methyl dihydrojasmonate, (+-)-trans-(2570-03-8)相关文献

目录