SMILES:
O=C(O)CC(CC(=O)O)Cc1ccc(O)cc1Molecular Processing
Molecular formula
C12H14O5
Molecular weight
238.24
Exact mass
238.0841
XLogP
1.5
TPSA
94.83
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
59.81
Supplementary Information
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