SMILES:
O=C(O)[C@@H]1[C@H]2CCC(=O)[C@H]21Molecular Processing
Molecular formula
C7H8O3
Molecular weight
140.14
Exact mass
140.0473
XLogP
0.3
TPSA
54.37
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
0.714
Molar refractivity
32.35
Supplementary Information
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