SMILES:
C=CCc1cc(CCC(=O)OCC)ccc1OMolecular Processing
Molecular formula
C14H18O3
Molecular weight
234.29
Exact mass
234.1256
XLogP
2.62
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
66.96
Supplementary Information
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