CC(=O)OCc1ccc(C=O)o1
SMILES: CC(=O)OCc1ccc(C=O)o1

Molecular Processing

Molecular formula
C8H8O4
Molecular weight
168.15
Exact mass
168.0423
XLogP
1.16
TPSA
56.51
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
39.57

Supplementary Information

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