SMILES:
CCC1=CCC(C)(O)O1Molecular Processing
Molecular formula
C7H12O2
Molecular weight
128.17
Exact mass
128.0837
XLogP
1.41
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
34.7
Supplementary Information
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