SMILES:
C#CCc1cccc(C2OCCO2)c1Molecular Processing
Molecular formula
C12H12O2
Molecular weight
188.23
Exact mass
188.0837
XLogP
1.91
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
53.62
Supplementary Information
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