CCOCCC#N
Nombre: betaethoxypropionitrile
SMILES: CCOCCC#N

Molecular Processing

Molecular formula
C5H9NO
Molecular weight
99.13
Exact mass
99.0684
XLogP
0.94
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
26.72

Supplementary Information

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