الاسم: 2-Cyano-4,4,8-trimethyl-non-2-enoic acid benzyl ester
SMILES:
CC(C)CCCC(C)(C)C=C(C#N)C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C20H27NO2
Molecular weight
313.44
Exact mass
313.2042
XLogP
5.03
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
92.4
Supplementary Information
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