COC(=O)C(=C1CCOC2(C1)CCCC2)C#N
الاسم: methyl 2-cyano-2-(6-oxaspiro[4.5]decan-9-ylidene)acetate
SMILES: COC(=O)C(=C1CCOC2(C1)CCCC2)C#N

Molecular Processing

Molecular formula
C13H17NO3
Molecular weight
235.28
Exact mass
235.1208
XLogP
2.1
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
61.04

Supplementary Information

InChIKey: CIVJOYRCBUMPPQ-UHFFFAOYSA-N
مرادفات
SCHEMBL12541281CIVJOYRCBUMPPQ-UHFFFAOYSA-NAcetic acid, 2-cyano-2-(6-oxaspiro[4.5]dec-9-ylidene)-, methyl ester
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