Cas no 294659-27-1 (1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-5-oxo-, (4S)-)
294659-27-1 structure
Product Name:1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-5-oxo-, (4S)-
CAS No:294659-27-1
MF:C6H8O5
MW:160.124722480774
CID:249162
PubChem ID:45084952
Update Time:2025-04-19
1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-5-oxo-, (4S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-5-oxo-, (4S)-
- 1,3-Dioxolane-4-carboxylicacid,2,2-dimethyl-5-oxo-,(4S)-(9CI)
- (4S)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-carboxylic acid
- SCHEMBL7440481
- 294659-27-1
- DTXSID80665772
-
- Inchi: 1S/C6H8O5/c1-6(2)10-3(4(7)8)5(9)11-6/h3H,1-2H3,(H,7,8)/t3-/m0/s1
- InChI Key: GQSBSTKUXFIDSL-VKHMYHEASA-N
- SMILES: O1[C@@H](C(=O)O)C(=O)OC1(C)C
Computed Properties
- Exact Mass: 160.03714
- Monoisotopic Mass: 160.037
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 72.8A^2
- XLogP3: 0.8
Experimental Properties
- PSA: 72.83
1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-5-oxo-, (4S)- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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