SMILES:
COC(=O)C(C)Oc1cccc(C(C)O)c1Molecular Processing
Molecular formula
C12H16O4
Molecular weight
224.26
Exact mass
224.1049
XLogP
1.68
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
59.18
Supplementary Information
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