Name: 2,2-Dimethyl-7-nitro-2H-benzo[b]pyran
SMILES:
CC1(C)C=Cc2ccc([N+](=O)[O-])cc2O1Molecular Processing
Molecular formula
C11H11NO3
Molecular weight
205.21
Exact mass
205.0739
XLogP
2.78
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
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
56.84
Supplementary Information
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