SMILES:
O=C(O)CC=Cc1cccc2c1OCC2Molecular Processing
Molecular formula
C12H12O3
Molecular weight
204.22
Exact mass
204.0786
XLogP
2.11
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
56.93
Supplementary Information
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