SMILES:
CC(C)=CCOC(=O)C#CC(O)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C16H16O5
Molecular weight
288.3
Exact mass
288.0998
XLogP
1.96
TPSA
64.99
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
75.69
Supplementary Information
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