SMILES:
CC(OCc1ccccc1)C(=O)OMolecular Processing
Molecular formula
C10H12O3
Molecular weight
180.2
Exact mass
180.0786
XLogP
1.68
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
48.33
Supplementary Information
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