Cas no 92741-26-9 (2,2,5-trimethyl-1,3-dioxolane-4-carboxylic acid)
92741-26-9 structure
Product Name:2,2,5-trimethyl-1,3-dioxolane-4-carboxylic acid
CAS No:92741-26-9
MF:C7H12O4
MW:160.167782783508
CID:815831
PubChem ID:315257
Update Time:2025-04-19
2,2,5-trimethyl-1,3-dioxolane-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,2,5-trimethyl-1,3-dioxolane-4-carboxylic acid
- 1,3-Dioxolane-4-carboxylicacid,2,2,5-trimethyl-,cis-(9CI)
- NSC239752
- SCHEMBL2032406
- 92741-26-9
- NSC-239752
- HNLGBHQJNORDKW-UHFFFAOYSA-N
- 2,2,5-Trimethyl-1,3-dioxolane-4-carboxylato
- DTXSID10918980
-
- Inchi： 1S/C7H12O4/c1-4-5(6(8)9)11-7(2,3)10-4/h4-5H,1-3H3,(H,8,9)
- InChI Key： HNLGBHQJNORDKW-UHFFFAOYSA-N
- SMILES： O1C(C)C(C(=O)O)OC1(C)C
Computed Properties
- Exact Mass: 160.074
- Monoisotopic Mass: 160.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 175
- 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: 0.5
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Density: 1.132g/cm3
- Boiling Point: 248.6oC at 760 mmHg
- Flash Point: 99oC
- Refractive Index: 1.438
- LogP: 0.61100
2,2,5-trimethyl-1,3-dioxolane-4-carboxylic acid Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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