SMILES:
CCCCCC(C=O)=CC(=O)OCMolecular Processing
Molecular formula
C10H16O3
Molecular weight
184.23
Exact mass
184.1099
XLogP
1.86
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
50.31
Supplementary Information
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