2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(4-methyl-1-oxopentyl)-


Chemical Name: 2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(4-methyl-1-oxopentyl)-
CAS Number: 23800-56-8
Product Number: AG00BFRN(AGN-PC-0AASSH)
Synonyms:
MDL No:
Molecular Formula: C12H16O4
Molecular Weight: 224.25304

Identification/Properties


Computed Properties
Molecular Weight:
224.256g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
224.105g/mol
Monoisotopic Mass:
224.105g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
375
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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