Name: 2,2-dimethyl-4-oxo-4H-1,3-benzodioxine-6-carbonitrile
SMILES:
CC1(C)OC(=O)c2cc(C#N)ccc2O1Molecular Processing
Molecular formula
C11H9NO3
Molecular weight
203.2
Exact mass
203.0582
XLogP
1.84
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
15
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
0.273
Molar refractivity
51.28
Supplementary Information
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