SMILES:
C#CC1(OC(C)=O)CCCCC1Molecular Processing
Molecular formula
C10H14O2
Molecular weight
166.22
Exact mass
166.0994
XLogP
1.89
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
46.42
Supplementary Information
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