SMILES:
CC(=O)C1(O)C=CC=CC1C(=O)OMolecular Processing
Molecular formula
C9H10O4
Molecular weight
182.17
Exact mass
182.0579
XLogP
0.13
TPSA
74.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
45.04
Supplementary Information
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