SMILES:
CC(C)(C)c1cc(C(=O)O)c([N+](=O)[O-])[nH]1Molecular Processing
Molecular formula
C9H12N2O4
Molecular weight
212.2
Exact mass
212.0797
XLogP
1.92
TPSA
96.23
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
53.11
Supplementary Information
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