Name: dioxane MeOH
SMILES:
C1COCCO1.COMolecular Processing
Molecular formula
C5H12O3
Molecular weight
120.15
Exact mass
120.0786
XLogP
-0.36
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
1
Molar refractivity
29.78
Supplementary Information
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