SMILES:
CCCCC=CCCCCCC(=O)OMolecular Processing
Molecular formula
C12H22O2
Molecular weight
198.31
Exact mass
198.162
XLogP
3.77
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
9
Heavy atoms
14
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
59.39
Supplementary Information
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