이름: dioxane-methanol water
SMILES:
O.OCC1COCCO1Molecular Processing
Molecular formula
C5H12O4
Molecular weight
136.15
Exact mass
136.0736
XLogP
-1.43
TPSA
70.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
1
Molar refractivity
31.26
Supplementary Information
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