COc1cc(OC2CCCCO2)ccc1C=O
SMILES: COc1cc(OC2CCCCO2)ccc1C=O

Molecular Processing

Molecular formula
C13H16O4
Molecular weight
236.27
Exact mass
236.1049
XLogP
2.41
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
62.6

Supplementary Information

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