4-[4-(but-3-en-2-yl)-2,6,7-trioxabicyclo[2.2.2]octan-1-yl]benzonitrile | C16H17NO3 | CC(C=C)C12COC(OC1)(OC2)C1=CC=C(C=C1)C#N | ACM135097631, CSC102577245, JH124830 | Chemspace

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Home CSCS00102577245

Structure Info

Chemspace ID: CSCS00102577245 (Synthesis)

IUPAC Name: 4-[4-(but-3-en-2-yl)-2,6,7-trioxabicyclo[2.2.2]octan-1-yl]benzonitrile

Mol formula: C₁₆H₁₇NO₃

Mol weight: 271 Da

Catalog Number(s): ACM135097631, CSC102577245, JH124830

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MOL

Properties
SDS

Properties

LogP: 3.22

Heavy atoms count: 20

Rotatable bond count: 3

Number of rings: 3

Carbon bond saturation, Fsp3: 0.437

Polar surface area (Å): 51

Hydrogen bond acceptors count: 4

Hydrogen bond donors count: 0

: Zoom the structure; CSCS00102577245

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Description: CAS: 135097-63-1

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