이름: acetone dioxane
SMILES:
C1COCCO1.CC(C)=OMolecular Processing
Molecular formula
C7H14O3
Molecular weight
146.19
Exact mass
146.0943
XLogP
0.63
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
10
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
0.857
Molar refractivity
37.99
Supplementary Information
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