1,4-Dioxane-2,5-dimethanol


Chemical Name: 1,4-Dioxane-2,5-dimethanol
CAS Number: 14236-12-5
Product Number: AG007JWS(AGN-PC-000WTF)
Synonyms:
MDL No:
Molecular Formula: C6H12O4
Molecular Weight: 148.1571

Identification/Properties


Computed Properties
Molecular Weight:
148.158g/mol
XLogP3:
-1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
148.074g/mol
Monoisotopic Mass:
148.074g/mol
Topological Polar Surface Area:
58.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
83.7
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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