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287111-41-5

287111-41-5 structural image
Product Name: SODIUM 4-METHYLVALERATE-1-13C
Formula: C6H11NaO2
Synonyms: 4-Methylpentanoic acid-1-13C sodium salt;Sodium isocaproate-1-13C
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COMPUTED DESCRIPTORS

Molecular Weight 139.13 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 139.06902871 g/mol
Monoisotopic Mass 139.06902871 g/mol
Topological Polar Surface Area 40.1 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 81.1
Isotope Atom Count 1
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes