Propanoic-3-13C acid, 2-oxo-, sodium salt


Chemical Name: Propanoic-3-13C acid, 2-oxo-, sodium salt
CAS Number: 124052-04-6
Product Number: AG009DP4(AGN-PC-0PHQFQ)
Synonyms:
MDL No: MFCD00084081
Molecular Formula: C3H3NaO3
Molecular Weight: 111.036544838

Identification/Properties


Computed Properties
Molecular Weight:
111.036g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
111.001g/mol
Monoisotopic Mass:
111.001g/mol
Topological Polar Surface Area:
57.2A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
88.2
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

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NMR Spectrum


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