SMILES:
O=C(O)[C@@H]1C[C@@H]2CC[C@@H]1O2Molecular Processing
Molecular formula
C7H10O3
Molecular weight
142.15
Exact mass
142.063
XLogP
0.64
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
33.64
Supplementary Information
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