SMILES:
C1=CC2CCC1C2.O=C1C=CC(=O)O1Molecular Processing
Molecular formula
C11H12O3
Molecular weight
192.21
Exact mass
192.0786
XLogP
1.6
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.455
Molar refractivity
50.21
Supplementary Information
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