SMILES:
CC1(C(=O)O)CCC(=O)CC1Molecular Processing
Molecular formula
C8H12O3
Molecular weight
156.18
Exact mass
156.0786
XLogP
1.22
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
39.22
Supplementary Information
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