이름: 2-[(7R,9S)-7-prop-2-enyl-6,10-dioxaspiro[4.5]decan-9-yl]acetonitrile
SMILES:
C=CC[C@@H]1C[C@H](CC#N)OC2(CCCC2)O1Molecular Processing
Molecular formula
C13H19NO2
Molecular weight
221.3
Exact mass
221.1416
XLogP
2.92
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
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
0.769
Molar refractivity
60.61
Supplementary Information
InChIKey: JMIQLDBHSDUZRW-NEPJUHHUSA-N
동의어
SCHEMBL9365263JMIQLDBHSDUZRW-NEPJUHHUSA-N(+/-)-cis-9-(2-propenyl)-6,10-dioxa-spiro[4.5]decane-7-acetonitrile(+/-)-cis-9-(2-propenyl)-6,10-dioxaspiro[4.5]decane-7-acetonitrile
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