Cas no 62609-78-3 (1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-5-oxo-)
62609-78-3 structure
Product Name:1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-5-oxo-
CAS No:62609-78-3
MF:C6H8O5
MW:160.124722480774
CID:438258
PubChem ID:10219575
Update Time:2025-04-19
1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-5-oxo-
- 2,2-dimethyl-5-oxo-1,3-dioxolane-4-carboxylic acid
- DTXSID70436852
- 62609-78-3
- SCHEMBL12419659
-
- Inchi： 1S/C6H8O5/c1-6(2)10-3(4(7)8)5(9)11-6/h3H,1-2H3,(H,7,8)
- InChI Key： GQSBSTKUXFIDSL-UHFFFAOYSA-N
- SMILES： O1C(C(=O)O)C(=O)OC1(C)C
Computed Properties
- Exact Mass: 160.03714
- Monoisotopic Mass: 160.03717335g/mol
- 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: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-5-oxo- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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