이름: ethyl 6-(2', 4'-dimethylphenyl)-6-cyano-3,3-dimethylhexanoate
SMILES:
CCOC(=O)CC(C)(C)CCC(C#N)c1ccc(C)cc1CMolecular Processing
Molecular formula
C19H27NO2
Molecular weight
301.43
Exact mass
301.2042
XLogP
4.67
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
88.54
Supplementary Information
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