이름: (8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane
SMILES:
C1CC2(CC1CI)OCCO2Molecular Processing
Molecular formula
C8H13IO2
Molecular weight
268.09
Exact mass
267.996
XLogP
1.96
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
1
Molar refractivity
50.86
Supplementary Information
InChIKey: JSKRZDVZAALDJE-ZETCQYMHSA-N
동의어
SCHEMBL1983895JSKRZDVZAALDJE-ZETCQYMHSA-N(S)-7-iodomethyl-1,4-d ioxaspiro[4.4]nonane
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