SMILES:
Cn1cccc1C(=O)CCC(=O)OMolecular Processing
Molecular formula
C9H11NO3
Molecular weight
181.19
Exact mass
181.0739
XLogP
1.07
TPSA
59.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
46.61
Supplementary Information
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