SMILES:
OC1CCCCC2(C1)OCCO2Molecular Processing
Molecular formula
C9H16O3
Molecular weight
172.22
Exact mass
172.1099
XLogP
1.05
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
1
Molar refractivity
43.73
Supplementary Information
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