SMILES:
O=C(O)C(O)Cc1ccc(O)cc1Molecular Processing
Molecular formula
C9H10O4
Molecular weight
182.18
Exact mass
182.0579
XLogP
0.38
TPSA
77.76
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
45.45
Supplementary Information
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