Name: Hydroxyester
SMILES:
COC(=O)C12CCC(CCCO)(CC1)CC2Molecular Processing
Molecular formula
C13H22O3
Molecular weight
226.32
Exact mass
226.1569
XLogP
2.27
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
60.9
Supplementary Information
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