SMILES:
COCC(O)(CC=O)c1ccccc1Molecular Processing
Molecular formula
C11H14O3
Molecular weight
194.23
Exact mass
194.0943
XLogP
1.11
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
14
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
0.364
Molar refractivity
52.9
Supplementary Information
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