CCCCC(OCC(=O)OC)c1ccco1
SMILES: CCCCC(OCC(=O)OC)c1ccco1

Molecular Processing

Molecular formula
C12H18O4
Molecular weight
226.27
Exact mass
226.1205
XLogP
2.7
TPSA
48.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
16
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
0.583
Molar refractivity
58.94

Supplementary Information

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