4-hydroxy-4-methyl-oxane-2,6-dione


Chemical Name: 4-hydroxy-4-methyl-oxane-2,6-dione
CAS Number: 34695-32-4
Product Number: AG00C0XQ(AGN-PC-00GT4P)
Synonyms:
MDL No:
Molecular Formula: C6H8O4
Molecular Weight: 144.1253

Identification/Properties


Computed Properties
Molecular Weight:
144.126g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
144.042g/mol
Monoisotopic Mass:
144.042g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
168
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:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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