CC(=O)c1cc2c(cc1N)OCO2
SMILES: CC(=O)c1cc2c(cc1N)OCO2

Molecular Processing

Molecular formula
C9H9NO3
Molecular weight
179.17
Exact mass
179.0582
XLogP
1.2
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
46.98

Supplementary Information

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