SMILES:
C#CC=CC#CCOC1CCCCO1Molecular Processing
Molecular formula
C12H14O2
Molecular weight
190.24
Exact mass
190.0994
XLogP
1.72
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
55.29
Supplementary Information
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