Nombre: product
SMILES:
O=C(O)C(=O)O.c1ccc2c(c1)C1CNCC2O1Molecular Processing
Molecular formula
C12H13NO5
Molecular weight
251.24
Exact mass
251.0794
XLogP
0.56
TPSA
95.86
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
61.15
Supplementary Information
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