Name: 6-nitro-2,2-dimethyl-4H-1,3-benzodioxin-4-one
SMILES:
CC1(C)OC(=O)c2cc([N+](=O)[O-])ccc2O1Molecular Processing
Molecular formula
C10H9NO5
Molecular weight
223.18
Exact mass
223.0481
XLogP
1.88
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
16
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
0.3
Molar refractivity
53.22
Supplementary Information
Details werden geladen…
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