2,4-Pentanedione, ion(1-), sodium, monohydrate


Chemical Name: 2,4-Pentanedione, ion(1-), sodium, monohydrate
CAS Number: 86891-03-4
Product Number: AG003UAO(AGN-PC-0V93LW)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Properties
Storage:
Room Temperature;Inert atmosphere;
Computed Properties
Molecular Weight:
140.114g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
140.045g/mol
Monoisotopic Mass:
140.045g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
107
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

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NMR Spectrum


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