Cas no 5702-93-2 (1,3-Dioxolane-4-acetic acid, 2-methyl-5-oxo-)
5702-93-2 structure
Product Name:1,3-Dioxolane-4-acetic acid, 2-methyl-5-oxo-
CAS No:5702-93-2
MF:C6H8O5
MW:160.124722480774
CID:346876
PubChem ID:19761820
Update Time:2025-04-19
1,3-Dioxolane-4-acetic acid, 2-methyl-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-4-acetic acid, 2-methyl-5-oxo-
- 2-(2-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
- SCHEMBL9005334
- MJVJIBWOQUOWOP-UHFFFAOYSA-N
- (2-Methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
- DTXSID40599645
- 2-methyl-5-oxo-1,3-dioxolan-4-acetic acid
- 5702-93-2
-
- Inchi: 1S/C6H8O5/c1-3-10-4(2-5(7)8)6(9)11-3/h3-4H,2H2,1H3,(H,7,8)
- InChI Key: MJVJIBWOQUOWOP-UHFFFAOYSA-N
- SMILES: O1C(C)OC(C1CC(=O)O)=O
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: 2
- Complexity: 187
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.2
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
1,3-Dioxolane-4-acetic acid, 2-methyl-5-oxo- Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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