SMILES:
CC(C)CCC(=O)OMolecular Processing
Molecular formula
C6H12O2
Molecular weight
116.16
Exact mass
116.0837
XLogP
1.51
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
8
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
0.833
Molar refractivity
31.71
Supplementary Information
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