名称: α-isopropyl-2-methylbenzyl cyanide
SMILES:
Cc1ccccc1C(C#N)C(C)CMolecular Processing
Molecular formula
C12H15N
Molecular weight
173.26
Exact mass
173.1204
XLogP
3.26
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
54.37
Supplementary Information
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