SMILES:
COCCOCCOC(=O)C#CC(=O)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C16H16O7
Molecular weight
320.3
Exact mass
320.0896
XLogP
0.81
TPSA
80.29
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
78.33
Supplementary Information
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