Nombre: (±)-cis-9-(cyanomethyl)-6,10-dioxaspiro[4.5]decane-7-acetic acid
SMILES:
N#CC[C@@H]1C[C@H](CC(=O)O)OC2(CCCC2)O1Molecular Processing
Molecular formula
C12H17NO4
Molecular weight
239.27
Exact mass
239.1158
XLogP
1.82
TPSA
79.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
58.04
Supplementary Information
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