SMILES:
COC(=O)C(=O)Oc1cccc2c1OCC(C#N)=C2Molecular Processing
Molecular formula
C13H9NO5
Molecular weight
259.22
Exact mass
259.0481
XLogP
1.06
TPSA
85.62
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
63.18
Supplementary Information
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