Cas no 56974-57-3 (Propanoic acid,3-hydroxy-2,2-dimethyl-, sodium salt (1:1))
56974-57-3 structure
Product Name:Propanoic acid,3-hydroxy-2,2-dimethyl-, sodium salt (1:1)
CAS No:56974-57-3
MF:C5H9NaO3
MW:140.112932920456
CID:375051
PubChem ID:23692776
Update Time:2025-04-19
Propanoic acid,3-hydroxy-2,2-dimethyl-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-hydroxy-2,2-dimethyl-, sodium salt (1:1)
- sodium 3-hydroxypivalate
- Propanoic acid, 3-hydroxy-2,2-dimethyl-, monosodium salt
- sodium 3-hydroxy-2,2-dimethylpropanoate
- EINECS 260-491-4
- Propanoic acid, 3-hydroxy-2,2-dimethyl-, sodium salt (1:1)
- SCHEMBL3957769
- 56974-57-3
- DTXSID7069152
- sodium;3-hydroxy-2,2-dimethylpropanoate
- NHXLJRWNZLCNEL-UHFFFAOYSA-M
- NS00086974
-
- Inchi： 1S/C5H10O3.Na/c1-5(2,3-6)4(7)8;/h6H,3H2,1-2H3,(H,7,8);/q;+1/p-1
- InChI Key： NHXLJRWNZLCNEL-UHFFFAOYSA-M
- SMILES： [Na+].OCC(C(=O)[O-])(C)C
Computed Properties
- Exact Mass: 140.04497
- Monoisotopic Mass: 140.04493843g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 100
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.36
Propanoic acid,3-hydroxy-2,2-dimethyl-, sodium salt (1:1) Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
56974-57-3 (Propanoic acid,3-hydroxy-2,2-dimethyl-, sodium salt (1:1)) Related Products
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