SMILES:
CC(C)(C)OC(=O)CCC1(C(=O)O)CCCC1Molecular Processing
Molecular formula
C13H22O4
Molecular weight
242.31
Exact mass
242.1518
XLogP
2.75
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
63.62
Supplementary Information
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