Cas no 3576-12-3 (Propanedioic acid, ethyl(3-oxopropyl)-, diethyl ester)
3576-12-3 structure
Product Name:Propanedioic acid, ethyl(3-oxopropyl)-, diethyl ester
CAS No:3576-12-3
MF:C12H20O5
MW:244.284204483032
CID:1473476
PubChem ID:12352716
Update Time:2025-04-20
Propanedioic acid, ethyl(3-oxopropyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, ethyl(3-oxopropyl)-, diethyl ester
- Diethyl ethyl(3-oxopropyl)propanedioate
- DTXSID60493454
- 3576-12-3
-
- Inchi： 1S/C12H20O5/c1-4-12(8-7-9-13,10(14)16-5-2)11(15)17-6-3/h9H,4-8H2,1-3H3
- InChI Key： QISQBGHJOTWPRZ-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(CC)CCC=O)=O
Computed Properties
- Exact Mass: 244.1311
- Monoisotopic Mass: 244.13107373g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 10
- Complexity: 254
- 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: 1.4
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
Propanedioic acid, ethyl(3-oxopropyl)-, diethyl ester Related Literature
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
3576-12-3 (Propanedioic acid, ethyl(3-oxopropyl)-, diethyl ester) Related Products
- 27132-23-6(Dimethyl diethylmalonate)
- 3779-29-1(1,1-diethyl cyclobutane-1,1-dicarboxylate)
- 14035-96-2(Dimethyl 2-propylmalonate)
- 7459-46-3(1,1,2-triethyl ethane-1,1,2-tricarboxylate)
- 133-13-1(1,3-diethyl 2-ethylpropanedioate)
- 596-75-8(Diethyl dibutylmalonate)
- 1559-02-0(Diethyl 1,1-cyclopropanedicarboxylate)
- 2163-48-6(Diethyl propylmalonate)
- 10203-58-4(Diethyl isobutylmalonate)
- 759-36-4(Diethyl isopropylmalonate)
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