Name: 3-hydroxycaprylonitrile
SMILES:
CCCCCC(O)CC#NMolecular Processing
Molecular formula
C8H15NO
Molecular weight
141.21
Exact mass
141.1154
XLogP
1.84
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
40.38
Supplementary Information
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Involved in 6 reactions→