SMILES:
O=C(O)C(=O)c1ccc(C2CCCCC2)c(O)c1Molecular Processing
Molecular formula
C14H16O4
Molecular weight
248.28
Exact mass
248.1049
XLogP
2.71
TPSA
74.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
65.9
Supplementary Information
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