الاسم: methyl-(4-cyano-4-ethoxycarbonylbutyl)benzoate
SMILES:
CCOC(=O)C(C#N)CCCc1c(C)cccc1C(=O)[O-]Molecular Processing
Molecular formula
C16H18NO4-
Molecular weight
288.32
Exact mass
288.1241
XLogP
1.38
TPSA
90.22
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
74.18
Supplementary Information
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