이름: trans-1-hydroxy-spiro[5.5]undecane-2-carboxylic acid methyl ester
SMILES:
COC(=O)[C@@H]1CCCC2(CCCCC2)[C@H]1OMolecular Processing
Molecular formula
C13H22O3
Molecular weight
226.32
Exact mass
226.1569
XLogP
2.27
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
60.88
Supplementary Information
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