SMILES:
C[C@H](O)[C@H](O)[C@H](O)CC=OMolecular Processing
Molecular formula
C6H12O4
Molecular weight
148.16
Exact mass
148.0736
XLogP
-1.32
TPSA
77.76
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
34.38
Supplementary Information
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