Nom: 3,4-methylenedioxybenzoyl isocyanate
SMILES:
O=C=NC(=O)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C9H5NO4
Molecular weight
191.14
Exact mass
191.0219
XLogP
0.89
TPSA
64.96
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
45.02
Supplementary Information
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