이름: ethyl 2-(1,3-benzodioxol-5-yl)-2-cyanoacetate
SMILES:
CCOC(=O)C(C#N)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C12H11NO4
Molecular weight
233.22
Exact mass
233.0688
XLogP
1.59
TPSA
68.55
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
57.55
Supplementary Information
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