Name: 1-benzyl-3-acetoacetoxypyrrolidine
SMILES:
CC(=O)CC(=O)OC1CCN(Cc2ccccc2)C1Molecular Processing
Molecular formula
C15H19NO3
Molecular weight
261.32
Exact mass
261.1365
XLogP
1.78
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
71.51
Supplementary Information
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