Name: 2-azido-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanone
SMILES:
CC1(C)OCc2cc(C(=O)CN=[N+]=[N-])ccc2O1Molecular Processing
Molecular formula
C12H13N3O3
Molecular weight
247.25
Exact mass
247.0957
XLogP
2.82
TPSA
84.29
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
64.28
Supplementary Information
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Involved in 14 reactions→