Cas no 19309-39-8 (2,6,7-Trioxabicyclo[2.2.2]octane-4-methanol, 1-methyl-)
![2,6,7-Trioxabicyclo[2.2.2]octane-4-methanol, 1-methyl- structure](https://ossimg.kuujia.com/scimg/19500/19309-39-8x500.png)
19309-39-8 structure
Product Name:2,6,7-Trioxabicyclo[2.2.2]octane-4-methanol, 1-methyl-
CAS No:19309-39-8
MF:C7H12O4
MW:160.167782783508
CID:96045
PubChem ID:13547990
Update Time:2025-04-18
2,6,7-Trioxabicyclo[2.2.2]octane-4-methanol, 1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,6,7-Trioxabicyclo[2.2.2]octane-4-methanol, 1-methyl-
- (1-methyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methanol
- XGSBJIGRINMFSC-UHFFFAOYSA-N
- 4-(hydroxymethyl)-1-methyl-2,6,7-trioxabicyclo[2.2.21octane
- DTXSID60543483
- SCHEMBL40172
- (1-methyl-2,6,7-trioxabicyclo[2.2.2]oct-4-yl)methanol
- 4-methylol-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane
- 19309-39-8
- SCHEMBL23439618
- 4-(hydroxymethyl)-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane
- 1-Methyl-4-(hydroxymethyl)-2,6,7-trioxabicyclo[2.2.2]octane
-
- Inchi： 1S/C7H12O4/c1-6-9-3-7(2-8,4-10-6)5-11-6/h8H,2-5H2,1H3
- InChI Key： XGSBJIGRINMFSC-UHFFFAOYSA-N
- SMILES： O1C2(C)OCC(CO)(CO2)C1
Computed Properties
- Exact Mass: 160.07356
- Monoisotopic Mass: 160.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.8
- Topological Polar Surface Area: 47.9?2
Experimental Properties
- PSA: 47.92
2,6,7-Trioxabicyclo[2.2.2]octane-4-methanol, 1-methyl- Related Literature
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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