Name: 7-methyl-5-nitro-2,3-dihydrobenzofuran
SMILES:
Cc1cc([N+](=O)[O-])cc2c1OCC2Molecular Processing
Molecular formula
C9H9NO3
Molecular weight
179.17
Exact mass
179.0582
XLogP
1.84
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
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
0.333
Molar refractivity
47.03
Supplementary Information
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