Cas no 51119-25-6 (Decanoic acid, 1-carboxyethyl ester)
51119-25-6 structure
Product Name:Decanoic acid, 1-carboxyethyl ester
CAS No:51119-25-6
MF:C13H24O4
MW:244.327264785767
CID:363210
PubChem ID:25260059
Update Time:2025-04-19
Decanoic acid, 1-carboxyethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Decanoic acid, 1-carboxyethyl ester
- 2-decanoyloxypropanoic acid
- 51119-25-6
- DTXSID20649516
- 2-(DECANOYLOXY)PROPANOIC ACID
-
- Inchi： 1S/C13H24O4/c1-3-4-5-6-7-8-9-10-12(14)17-11(2)13(15)16/h11H,3-10H2,1-2H3,(H,15,16)
- InChI Key： PTMYLIOGDZKERF-UHFFFAOYSA-N
- SMILES： O(C(C(=O)O)C)C(CCCCCCCCC)=O
Computed Properties
- Exact Mass: 244.16752
- Monoisotopic Mass: 244.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 226
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
Decanoic acid, 1-carboxyethyl ester Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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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
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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