SMILES:
CC(C)(O)C#Cc1cccc(C2OCCO2)c1Molecular Processing
Molecular formula
C14H16O3
Molecular weight
232.28
Exact mass
232.1099
XLogP
1.85
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
64.26
Supplementary Information
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