Name: α-n-butyl-α-hydroxyacetonitrile
SMILES:
CCCCC(O)C#NMolecular Processing
Molecular formula
C6H11NO
Molecular weight
113.16
Exact mass
113.0841
XLogP
1.06
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
8
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
0.833
Molar refractivity
31.14
Supplementary Information
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