Butanoic acid, 3-hydroxy-3-methyl-, calcium salt (2:1)


Chemical Name: Butanoic acid, 3-hydroxy-3-methyl-, calcium salt (2:1)
CAS Number: 135236-72-5
Product Number: AG003ONL(AGN-PC-0PKJ9M)
Synonyms:
MDL No:
Molecular Formula: C10H20CaO7
Molecular Weight: 292.3396

Identification/Properties


Properties
MP:
>215°C (dec.)
BP:
242.8°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
274.326g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
274.073g/mol
Monoisotopic Mass:
274.073g/mol
Topological Polar Surface Area:
121A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
90.3
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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