Nombre: 6-(2-nitrovinyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid ethyl ester
SMILES:
CCOC(=O)C1COc2cc(C=C[N+](=O)[O-])ccc2O1Molecular Processing
Molecular formula
C13H13NO6
Molecular weight
279.25
Exact mass
279.0743
XLogP
1.64
TPSA
87.9
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
69.01
Supplementary Information
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