Cas no 5257-96-5 (Propanedioic acid, (1-methylethoxy)-, dimethyl ester)
5257-96-5 structure
Product Name:Propanedioic acid, (1-methylethoxy)-, dimethyl ester
CAS No:5257-96-5
MF:C8H14O5
MW:190.193763256073
CID:359298
PubChem ID:71365582
Update Time:2025-04-19
Propanedioic acid, (1-methylethoxy)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (1-methylethoxy)-, dimethyl ester
- dimethyl 2-propan-2-yloxypropanedioate
- Dimethyl [(propan-2-yl)oxy]propanedioate
- 5257-96-5
- DTXSID30788985
- SCHEMBL20399902
-
- Inchi： 1S/C8H14O5/c1-5(2)13-6(7(9)11-3)8(10)12-4/h5-6H,1-4H3
- InChI Key： AGRGUOKWCUZXTJ-UHFFFAOYSA-N
- SMILES： O(C(C(=O)OC)C(=O)OC)C(C)C
Computed Properties
- Exact Mass: 190.08412
- Monoisotopic Mass: 190.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.83
Propanedioic acid, (1-methylethoxy)-, dimethyl ester Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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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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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
5257-96-5 (Propanedioic acid, (1-methylethoxy)-, dimethyl ester) Related Products
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