Cas no 94517-15-4 (Pentanedioic acid, 2-hydroxyethyl methyl ester)
94517-15-4 structure
Product Name:Pentanedioic acid, 2-hydroxyethyl methyl ester
CAS No:94517-15-4
MF:C8H14O5
MW:190.193763256073
CID:735292
PubChem ID:54363202
Update Time:2025-04-19
Pentanedioic acid, 2-hydroxyethyl methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 2-hydroxyethyl methyl ester
- 5-O-(2-hydroxyethyl) 1-O-methyl pentanedioate
- DTXSID10710845
- 94517-15-4
- 2-Hydroxyethyl methyl pentanedioate
- SCHEMBL11647199
-
- Inchi： 1S/C8H14O5/c1-12-7(10)3-2-4-8(11)13-6-5-9/h9H,2-6H2,1H3
- InChI Key： UNYFRXYBICXIBU-UHFFFAOYSA-N
- SMILES： O(CCO)C(CCCC(=O)OC)=O
Computed Properties
- Exact Mass: 190.08412354g/mol
- Monoisotopic Mass: 190.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 166
- 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: -0.5
- Topological Polar Surface Area: 72.8?2
Pentanedioic acid, 2-hydroxyethyl methyl ester Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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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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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
94517-15-4 (Pentanedioic acid, 2-hydroxyethyl methyl ester) Related Products
- 110-38-3(Ethyl decanoate)
- 110-40-7(Diethyl decanedioate)
- 106-32-1(Ethyl n-Caprylate)
- 106-02-5(ω-Pentadecalactone)
- 106-30-9(Ethyl Heptanoate(Heptanoic Acid Ethyl Ester))
- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 109-43-3(dibutyl sebacate)
- 123-29-5(Ethyl nonanoate)
- 123-95-5(Butyl stearate)
- 123-25-1(Diethyl succinate)
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