SMILES:
CC(C)(C)OC(=O)c1cc(N)cc(C(=O)O)c1Molecular Processing
Molecular formula
C12H15NO4
Molecular weight
237.25
Exact mass
237.1001
XLogP
1.92
TPSA
89.62
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
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
0.333
Molar refractivity
62.98
Supplementary Information
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