595-31-3 (3-氧杂双环[3.2.1]辛烷-2,4-二酮，1,8,8-三甲基-（1S，5R）-,3-Oxabicyclo[3.2.1]octane-2,4-dione,1,8,8-trimethyl-, (1S,5R)-)

快速询单

结构式：

3-氧杂双环[3.2.1]辛烷-2,4-二酮，1,8,8-三甲基-（1S，5R）-MOL文件

CAS号：

595-31-3

中文名称：

3-氧杂双环[3.2.1]辛烷-2,4-二酮，1,8,8-三甲基-（1S，5R）-

英文名称：

3-Oxabicyclo[3.2.1]octane-2,4-dione,1,8,8-trimethyl-, (1S,5R)-

分子式：

C₁₀H₁₄O₃

分子量：

182.216363430023

3-氧杂双环[3.2.1]辛烷-2,4-二酮，1,8,8-三甲基-（1S，5R）-(595-31-3)名称与标识符

名称

英文别名：

3-Oxabicyclo[3.2.1]octane-2,4-dione,1,8,8-trimethyl-, (1S,5R)-;(+)-(1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic anhydride;(1S)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione;D(-) CAMPHORIC ANHYDRIDE;(-)-Camphoric anhydride;(+)-1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic anhydride;(1S)-1,8,8-Trimethyl-3-oxabicyclo(3.2.1)octane-2,4-dione;1,3-Cyclopentanedicarboxylic anhydride, 1,2,2-trimethyl-, (+)-;3-Oxabicyclo(3.2.1)octane-2,4-dione, 1,8,8-trimethyl-, (1S)-;d-Camphoric anhydride;L-Camphoric anhydride;206011E8PL;Camphoric anhydride, (1S,5R)-;UNII-206011E8PL;EN300-7539297;NSC-4559;595-31-3;NSC 4559;(1S,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione;Campher acid anhydride;3-Oxabicyclo(3.2.1)octane-2,4-dione, 1,8,8-trimethyl-;EINECS 200-952-9;(+/-)-Camphoric acid anhydride, >=98.0% (T);(+/-)-1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione;(1S,5R)-1,8,8-TRIMETHYL-3-OXABICYCLO(3.2.1)OCTANE-2,4-DIONE;(+-)-Camphoric anhydride;4NPV7ZZZ2H;NSC 657821;NSC-60293;SCHEMBL17893334;NSC-657821;NSC 60293;dl-Camphoric anhydride;DTXSID401190476;EINECS 209-862-4;3-OXABICYCLO(3.2.1)OCTANE-2,4-DIONE, 1,8,8-TRIMETHYL-, (1S,5R)-;(+/-)-camphoric anhydride;UNII-4NPV7ZZZ2H;Camphoric anhydride, (+/-)-;

标识符

InChIKey：

VFZDNKRDYPTSTP-QUBYGPBYSA-N

Inchi：

1S/C10H14O3/c1-9(2)6-4-5-10(9,3)8(12)13-7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m0/s1

SMILES：

O1C([C@@H]2CC[C@@](C1=O)(C)C2(C)C)=O

3-氧杂双环[3.2.1]辛烷-2,4-二酮，1,8,8-三甲基-（1S，5R）-(595-31-3)物化性质

实验特性

LogP : 1.51230
PSA : 43.37
折射率 : 1.487

计算特性

精确分子量 : 182.09432
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 0
同位素质量 : 182.094
重原子数量 : 13
复杂度 : 293
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 2
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） : 1.8
拓扑分子极性表面积 : 43.4A^2

3-氧杂双环[3.2.1]辛烷-2,4-二酮，1,8,8-三甲基-（1S，5R）-(595-31-3)相关文献

1. Ozonolysis of hydroxymethylene ketones: the Baeyer–Villiger reaction as a source of anhydride formation
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8. Photoinduced molecular transformations. Part 106. The formation of cyclic anhydrides via regioselective β-scission of alkoxyl radicals generated from 5-and 6-membered α-hydroxy cyclic ketones
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9. Synthesis and crystal structure of a hexanuclear silver(I) cluster [Ag(Hmna)]6·4H2O (H2mna?=?2-mercaptonicotinic acid) and a supramolecular gold(I) complex H[Au(Hmna)2] in the solid state, and their antimicrobial activities
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