Cas no 87937-03-9 (3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-, (1S)-)
87937-03-9 structure
Product Name:3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-, (1S)-
CAS No:87937-03-9
MF:C6H10O3
MW:130.141802310944
CID:582200
PubChem ID:71405450
Update Time:2025-04-19
3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-, (1S)- Chemical and Physical Properties
Names and Identifiers
-
- 3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-, (1S)-
- DTXSID90826099
- (1S)-5-Methyl-3,6,8-trioxabicyclo[3.2.1]octane
- 87937-03-9
-
- Inchi: 1S/C6H10O3/c1-6-4-7-2-5(9-6)3-8-6/h5H,2-4H2,1H3/t5-,6?/m0/s1
- InChI Key: ZYYRPZUNVFRMSX-ZBHICJROSA-N
- SMILES: O1[C@H]2COCC1(C)OC2
Computed Properties
- Exact Mass: 130.062994177g/mol
- Monoisotopic Mass: 130.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 126
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 27.7?2
3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-, (1S)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
87937-03-9 (3,6,8-Trioxabicyclo[3.2.1]octane, 5-methyl-, (1S)-) Related Products
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