SMILES:
O=Cc1[nH]cc(C(=O)O)c1CCOMolecular Processing
Molecular formula
C8H9NO4
Molecular weight
183.16
Exact mass
183.0532
XLogP
0.06
TPSA
90.39
H-bond donors
3
H-bond acceptors
3
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
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
43.93
Supplementary Information
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