Cas no 52250-47-2 (2-ethyl-2-(3-hydroxypropyl)propanedioic acid)
52250-47-2 structure
Product Name:2-ethyl-2-(3-hydroxypropyl)propanedioic acid
CAS No:52250-47-2
MF:C8H14O5
MW:190.193763256073
CID:1576607
PubChem ID:73774790
Update Time:2025-04-21
2-ethyl-2-(3-hydroxypropyl)propanedioic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-ethyl-2-(3-hydroxypropyl)propanedioic acid
- Ethyl(3-hydroxypropyl)malonic acid
- propanedioic acid, 2-ethyl-2-(3-hydroxypropyl)-
- LogP
- 52250-47-2
- DTXSID501255617
-
- Inchi： 1S/C8H14O5/c1-2-8(6(10)11,7(12)13)4-3-5-9/h9H,2-5H2,1H3,(H,10,11)(H,12,13)
- InChI Key： LZLZSSGOHJSSBO-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)(CC)CCCO)=O
Computed Properties
- Exact Mass: 190.08412
- Monoisotopic Mass: 190.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 185
- 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: 94.8?2
Experimental Properties
- PSA: 94.83
2-ethyl-2-(3-hydroxypropyl)propanedioic acid Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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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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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
52250-47-2 (2-ethyl-2-(3-hydroxypropyl)propanedioic acid) Related Products
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- 10097-02-6(2,2-Bis(hydroxymethyl)butanoic acid)
- 5660-81-1(Cyclopentylmalonic acid)
- 24779-68-8(2-(adamantan-1-yl)propanedioic acid)
- 534-59-8(Butylmalonic acid)
- 598-10-7(Cyclopropane-1,1-dicarboxylic acid)
- 601-79-6(2-Isopropylmalonic Acid)
- 1636-27-7(2,2-Dipropylmalonic Acid)
- 601-75-2(Ethylmalonic acid)
- 1127-08-8(CYCLOHEXANE-1,1-DICARBOXYLIC ACID)
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