2-Cyclobutylacetonitrile

CAT: 0127-OR1001488-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1001488-01Size:100 mg

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CAS Number

4426-03-3

Purity

98%

Smiles

N#CCC1CCC1

Chemical Information

2-Cyclobutylacetonitrile

CAS Number	4426-03-3
PubChem CID	22990584
IUPAC Name	2-cyclobutylacetonitrile
Molecular Formula	C6H9N
Molecular Weight	95.14
XLogP	1.6
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	94

SMILES

C1CC(C1)CC#N

InChI

InChI=1S/C6H9N/c7-5-4-6-2-1-3-6/h6H,1-4H2

InChIKey

BWFYLNLITXLIGS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4426-03-3

CID: 22990584

Formula: C6H9N

MW: 95.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	95.14
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	95.073499291
Monoisotopic Mass	95.073499291
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	94
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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