Название: ethyl 1,2-benzoisoxazole-3-carboxylate
SMILES:
CCOC(=O)c1noc2ccccc12Molecular Processing
Molecular formula
C10H9NO3
Molecular weight
191.19
Exact mass
191.0582
XLogP
2
TPSA
52.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
49.97
Supplementary Information
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