COc1ccc(C#CC(C)C)c([N+](=O)[O-])c1
Name: 4-methoxy-1-(3-methylbut-1-ynyl)-2-nitrobenzene
SMILES: COc1ccc(C#CC(C)C)c([N+](=O)[O-])c1

Molecular Processing

Molecular formula
C12H13NO3
Molecular weight
219.24
Exact mass
219.0895
XLogP
2.61
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
61.36

Supplementary Information

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Involved in 4 reactions→

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