الاسم: oct-2-enenitrile
SMILES:
CCCCCC=CC#NMolecular Processing
Molecular formula
C8H13N
Molecular weight
123.2
Exact mass
123.1048
XLogP
2.65
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
38.9
Supplementary Information
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