Name: 4-Iodomethyl-tetrahydro-pyran-4-carboxylic acid methyl ester
SMILES:
COC(=O)C1(CI)CCOCC1Molecular Processing
Molecular formula
C8H13IO3
Molecular weight
284.09
Exact mass
283.9909
XLogP
1.39
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
53.39
Supplementary Information
Details werden geladen…
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