Name: (3-cyano-3-butene-1-yl)(ethoxycarbonyl)azanyl 1,1-dimethylethyl carbonate
SMILES:
C=C(C#N)CCN(OC(=O)OC(C)(C)C)C(=O)OCCMolecular Processing
Molecular formula
C13H20N2O5
Molecular weight
284.31
Exact mass
284.1372
XLogP
2.78
TPSA
88.86
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
20
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
70.42
Supplementary Information
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