SMILES:
O=C1CC(CCC(=O)OCc2ccccc2)C1Molecular Processing
Molecular formula
C14H16O3
Molecular weight
232.28
Exact mass
232.1099
XLogP
2.49
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
63.2
Supplementary Information
Details werden geladen…
An 13 Reaktionen beteiligt→