Cas no 64127-41-9 (Pentanedioic acid, 3-oxo-, ethyl methyl ester)
64127-41-9 structure
Product Name:Pentanedioic acid, 3-oxo-, ethyl methyl ester
CAS No:64127-41-9
MF:C8H12O5
MW:188.177883148193
CID:424934
PubChem ID:10997773
Update Time:2025-04-19
Pentanedioic acid, 3-oxo-, ethyl methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 3-oxo-, ethyl methyl ester
- 1-O-ethyl 5-O-methyl 3-oxopentanedioate
- 64127-41-9
- DTXSID60451236
-
- Inchi： 1S/C8H12O5/c1-3-13-8(11)5-6(9)4-7(10)12-2/h3-5H2,1-2H3
- InChI Key： JBBQRDSBFWLESZ-UHFFFAOYSA-N
- SMILES： O(CC)C(CC(CC(=O)OC)=O)=O
Computed Properties
- Exact Mass: 188.06846
- Monoisotopic Mass: 188.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 209
- 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: 0.3
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
Pentanedioic acid, 3-oxo-, ethyl methyl ester Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
64127-41-9 (Pentanedioic acid, 3-oxo-, ethyl methyl ester) Related Products
- 2052-15-5(Butyl 4-oxopentanoate)
- 4949-44-4(Ethyl 3-oxopentanoate)
- 13984-57-1(Ethyl 5-oxohexanoate)
- 22502-03-0(2-Methoxyethyl acetoacetate)
- 539-88-8(Ethyl levulinate)
- 105-50-0(Diethyl 3-oxopentanedioate)
- 3249-68-1(Ethyl butyrylacetate)
- 30414-53-0(Methyl 3-oxopentanoate)
- 30414-54-1(Methyl 3-oxohexanoate)
- 1830-54-2(Dimethyl acetone-1,3-dicarboxylate)
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