SMILES:
CCOC(=O)c1ccc(C#CCCO)cc1Molecular Processing
Molecular formula
C13H14O3
Molecular weight
218.25
Exact mass
218.0943
XLogP
1.6
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
60.98
Supplementary Information
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