CC(Cc1ccc(C(=O)O)o1)C(=O)OC(C)(C)C
SMILES: CC(Cc1ccc(C(=O)O)o1)C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C13H18O5
Molecular weight
254.28
Exact mass
254.1154
XLogP
2.5
TPSA
76.74
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
64.38

Supplementary Information

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