4H-Pyran-4-one, 3-hydroxy-2-methyl-


Chemical Name: 4H-Pyran-4-one, 3-hydroxy-2-methyl-
CAS Number: 118-71-8
Product Number: AG00386J(AGN-PC-0JK8IH)
Synonyms:
MDL No:
Molecular Formula: C6H6O3
Molecular Weight: 126.1100

Identification/Properties


Computed Properties
Molecular Weight:
126.111g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
126.032g/mol
Monoisotopic Mass:
126.032g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
200
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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