SMILES:
CCC1(CO)OCCO1Molecular Processing
Molecular formula
C6H12O3
Molecular weight
132.16
Exact mass
132.0786
XLogP
0.13
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
1
Molar refractivity
32.01
Supplementary Information
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