Name: hydroxymethyl-6-amino-1,4-benzodioxane
SMILES:
Nc1ccc2c(c1)OCC(CO)O2Molecular Processing
Molecular formula
C9H11NO3
Molecular weight
181.19
Exact mass
181.0739
XLogP
0.4
TPSA
64.71
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
47.85
Supplementary Information
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Involved in 5 reactions→