SMILES:
COC(=O)C1COCC1C#NMolecular Processing
Molecular formula
C7H9NO3
Molecular weight
155.15
Exact mass
155.0582
XLogP
-0.05
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
35.43
Supplementary Information
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