SMILES:
CCOC(=O)C12CCC(=O)C=C1C=C(O)CC2Molecular Processing
Molecular formula
C13H16O4
Molecular weight
236.27
Exact mass
236.1049
XLogP
2.06
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
61.34
Supplementary Information
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