SMILES:
COCC(C)COMolecular Processing
Molecular formula
C5H12O2
Molecular weight
104.15
Exact mass
104.0837
XLogP
0.26
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
1
Molar refractivity
28.13
Supplementary Information
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