C[N+]1([O-])CCOCC1.O
Name: N-methylmorpholine N-oxide monohydrate
SMILES: C[N+]1([O-])CCOCC1.O

Molecular Processing

Molecular formula
C5H13NO3
Molecular weight
135.16
Exact mass
135.0895
XLogP
-0.86
TPSA
63.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
1
Molar refractivity
33.72

Supplementary Information

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