Name: 3-methyl-2-(methyloxy)-4-oxiran-2-ylbenzonitrile
SMILES:
COc1c(C#N)ccc(C2CO2)c1CMolecular Processing
Molecular formula
C11H11NO2
Molecular weight
189.21
Exact mass
189.079
XLogP
1.95
TPSA
45.55
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
51.14
Supplementary Information
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