1,3-Dioxan-5-ol


Chemical Name: 1,3-Dioxan-5-ol
CAS Number: 4740-78-7
Product Number: AG00I8N4(AGN-PC-0JLRDZ)
Synonyms:
MDL No:
Molecular Formula: C4H8O3
Molecular Weight: 104.10452

Identification/Properties


Computed Properties
Molecular Weight:
104.105g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
104.047g/mol
Monoisotopic Mass:
104.047g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
48.9
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


Other Analytical Data


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