SMILES:
O=C(O)C1CC2CC(=O)C1C2Molecular Processing
Molecular formula
C8H10O3
Molecular weight
154.16
Exact mass
154.063
XLogP
0.69
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
36.96
Supplementary Information
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