SMILES:
CC1CC2(CCC1=O)OCCO2Molecular Processing
Molecular formula
C9H14O3
Molecular weight
170.21
Exact mass
170.0943
XLogP
1.12
TPSA
35.53
H-bond donors
0
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
0.889
Molar refractivity
42.66
Supplementary Information
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