SMILES:
O=C1CCCC1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C13H14O3
Molecular weight
218.25
Exact mass
218.0943
XLogP
2.1
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
58.59
Supplementary Information
Details werden geladen…
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