Cas no 6917-21-1 (Propanoic-1-14C acid,2-methyl-, sodium salt (9CI))
6917-21-1 structure
Product Name:Propanoic-1-14C acid,2-methyl-, sodium salt (9CI)
CAS No:6917-21-1
MF:C4H7NaO2
MW:112.079493761063
CID:518489
Update Time:2024-01-30
Propanoic-1-14C acid,2-methyl-, sodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
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- Propanoic-1-14C acid,2-methyl-, sodium salt (9CI)
- ISOBUTYRIC ACID SODIUM SALT, [CARBOXYL-14C]
- SODIUM ISOBUTYRATE, [1-14C]-
- ISOBUTYRIC ACID, [CARBOXYL-14C] SODIUM SALT
- ISOBUTYRIC ACID, [1-14C] SODIUM SALT
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- Inchi： 1S/C4H8O2.Na/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);/q;+1/p-1/i4+2;
- InChI Key： TWEGKFXBDXYJIU-JXFNBCCBSA-M
- SMILES： C(C)(C)[14C]([O-])=O.[Na+]
Computed Properties
- Exact Mass: 1332.790573
- Monoisotopic Mass: 1332.790573
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 92
- Rotatable Bond Count: 43
- Complexity: 2720
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 10
- Topological Polar Surface Area: 289
Experimental Properties
- Density: 1.16
- Refractive Index: 1.553
Propanoic-1-14C acid,2-methyl-, sodium salt (9CI) 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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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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