SMILES:
C=CC(=O)OCCCC.C=CC=CMolecular Processing
Molecular formula
C11H18O2
Molecular weight
182.26
Exact mass
182.1307
XLogP
2.87
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
2
Fraction Csp3
0.364
Molar refractivity
56.46
Supplementary Information
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