Cas no 62644-28-4 (3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-(1-methylethoxy)-)
62644-28-4 structure
Product Name:3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-(1-methylethoxy)-
CAS No:62644-28-4
MF:C8H12O4
MW:172.178483009338
CID:436647
PubChem ID:21397327
Update Time:2025-04-19
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-(1-methylethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-(1-methylethoxy)-
- 2-propan-2-yloxy-3,7-dioxabicyclo[4.1.0]heptan-5-one
- DTXSID70613025
- Propan-2-yl 2,3-anhydropentopyranosid-4-ulose
- 62644-28-4
- SCHEMBL11757861
-
- Inchi: 1S/C8H12O4/c1-4(2)11-8-7-6(12-7)5(9)3-10-8/h4,6-8H,3H2,1-2H3
- InChI Key: WFQUNQZHPYOKKD-UHFFFAOYSA-N
- SMILES: O1C2C(COC(C12)OC(C)C)=O
Computed Properties
- Exact Mass: 172.07356
- Monoisotopic Mass: 172.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 201
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 48.1?2
Experimental Properties
- PSA: 48.06
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-(1-methylethoxy)- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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