SMILES:
C[C@H](O)[C@@H]1O[C@@H]1CC=OMolecular Processing
Molecular formula
C6H10O3
Molecular weight
130.14
Exact mass
130.063
XLogP
-0.28
TPSA
49.83
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
31.02
Supplementary Information
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