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2- (Cyclobutyloxy) benzonitrile

CAT: 0127-OR1099006-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1099006-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1247509-37-0
Purity
97%
Smiles
O (c1c (C#N) cccc1) C1CCC1

Chemical Information

2-Cyclobutoxybenzonitrile
CAS Number1247509-37-0
PubChem CID62140265
IUPAC Name2-cyclobutyloxybenzonitrile
Molecular FormulaC11H11NO
Molecular Weight173.21
XLogP2.5
Topological Polar Surface Area33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity213
SMILES
C1CC(C1)OC2=CC=CC=C2C#N
InChI
InChI=1S/C11H11NO/c12-8-9-4-1-2-7-11(9)13-10-5-3-6-10/h1-2,4,7,10H,3,5-6H2
InChIKey
KMRNPPBITIARSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclobutoxybenzonitrile
CAS: 1247509-37-0
CID: 62140265
Formula: C11H11NO
MW: 173.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.21
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass173.084063974
Monoisotopic Mass173.084063974
Topological Polar Surface Area33 Ų
Heavy Atom Count13
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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