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287389-33-7

287389-33-7 structural image
Product Name: SODIUM ISOVALERATE-1-13C
Formula: C5H9NaO2
Synonyms: 3-Methylbutyric acid-1-13C sodium salt
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COMPUTED DESCRIPTORS

Molecular Weight 125.11 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 125.05337864 g/mol
Monoisotopic Mass 125.05337864 g/mol
Topological Polar Surface Area 40.1 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 70.8
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