Cyclohex-1-Enecarbonitrile

CAT: 0127-OR1012722-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1012722-01Size:250 mg

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CAS Number

1855-63-6

MDL Number

MFCD00013772

Purity

97%

Smiles

N#CC1=CCCCC1

Chemical Information

Cyclohexenecarbonitrile

CAS Number	1855-63-6
PubChem CID	74619
IUPAC Name	cyclohexene-1-carbonitrile
Molecular Formula	C7H9N
Molecular Weight	107.15
XLogP	1.9
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	147

SMILES

C1CCC(=CC1)C#N

InChI

InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5H2

InChIKey

GTMWGXABXQTZRJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1855-63-6

CID: 74619

Formula: C7H9N

MW: 107.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	107.15
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	107.073499291
Monoisotopic Mass	107.073499291
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	147
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

Catalog	Name
OR77361-01	4- (4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl) cyclohex-3-enecarbonitrile
OR1012721-01	Cyclohex-1-Enecarbaldehyde
OR1052102-01	Cyclohex-3-en-1-ylmethyl cyclohex-3-enecarboxylate
OR24507	1- (Nitromethyl) cyclohex-1-ene
PC8008-01	1- (Trifluorovinyl) cyclohex-1-ene
OR1102340-01	1- (Bromomethyl) cyclohex-1-ene
OR15935	1-Cyclohex-1-en-1-ylpyrrolidine
OR1045093-01	Cyclohex-1-en-1-ylmethanamine hydrochloride
OR1001590-01	Cyclohex-2-en-1-amine
PC1567E	1- (2-Bromotetrafluoroethyl) cyclohex-1-ene

Catalog	Name
408199	1- (4-Nitrophenyl) cyclopent-3-enecarbonitrile
GTR19279663-01	Cyclohex-1-enecarbaldehyde
M338683	Methyl Cyclohex-1-enecarboxylate
sc-357436	1- (Trifluorovinyl) cyclohex-1-ene
sc-255751	1- (Bromodifluoromethyl) cyclohex-1-ene
sc-507227	1- (Nitromethyl) cyclohex-1-ene
BAA61722-01	Ethyl cyclohex-1-ene-1-carboxylate
JBA82593-01	3- (Bromomethyl) cyclohex-1-ene
GTR19267624-01	Cyclohex-1,4-dienecarboxyl-CoA
TYD-03582-01	Cyclohex-1-ene-1-carboxyl-CoA