SMILES:
CCC1COC(=O)O1Molecular Processing
Molecular formula
C5H8O3
Molecular weight
116.12
Exact mass
116.0473
XLogP
0.93
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
8
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
26.51
Supplementary Information
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