Name: 3-ethoxycarbonylphenyl isocyanate
SMILES:
CCOC(=O)c1cccc(N=C=O)c1Molecular Processing
Molecular formula
C10H9NO3
Molecular weight
191.19
Exact mass
191.0582
XLogP
1.83
TPSA
55.73
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
50.18
Supplementary Information
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Involved in 20 reactions→