SMILES:
COc1ccc2c(c1)C(=O)C(CC(=O)O)CC2Molecular Processing
Molecular formula
C13H14O4
Molecular weight
234.25
Exact mass
234.0892
XLogP
1.91
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
61.39
Supplementary Information
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