4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate

CAT: 0024-sc-267473Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-267473Size:10 mg

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CAS Number

62439-35-4

Chemical Information

4-Cyanophenyl trans-4-pentylcyclohexanecarboxylate

CAS Number	62439-35-4
PubChem CID	112844
IUPAC Name	(4-cyanophenyl) 4-pentylcyclohexane-1-carboxylate
Molecular Formula	C19H25NO2
Molecular Weight	299.4
XLogP	5.9
Topological Polar Surface Area	50.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	381

SMILES

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H25NO2/c1-2-3-4-5-15-6-10-17(11-7-15)19(21)22-18-12-8-16(14-20)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3

InChIKey

JRNQQLWJXYJSRU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62439-35-4

CID: 112844

Formula: C19H25NO2

MW: 299.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.4
XLogP3	5.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	299.188529040
Monoisotopic Mass	299.188529040
Topological Polar Surface Area	50.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	381
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
sc-261511	4- (trans-4-Propylcyclohexyl) -phenyl trans-4-pentylcyclohexanecarboxylate
sc-261511A	4- (trans-4-Propylcyclohexyl) -phenyl trans-4-pentylcyclohexanecarboxylate
sc-272653	Trans-4-Ethoxy-phenyl 4-pentylcyclohexanecarboxylate
sc-267455	4-Cyano-3-fluorophenyl trans-4-pentylcyclohexanecarboxylate
sc-267474	4-Cyanophenyl trans-4-propylcyclohexanecarboxylate
sc-470616	(±) -trans-4- (4-Cyanophenyl) pyrrolidine-3-carboxylic acid hydrochloride
sc-272622	Trans- (4-Cyanophenyl) -5-pentyl-1,3-dioxane
sc-471218	(±) -trans-4- (3-Cyanophenyl) pyrrolidine-3-carboxylic acid hydrochloride
sc-485264	4-Cyanophenyl 4-Heptylbenzoate
sc-471754	(±) -trans-4- (2-Cyanophenyl) pyrrolidine-3-carboxylic acid hydrochloride

Catalog	Name
OR1055166-01	4-Cyanophenyl 4-pentylcyclohexanecarboxylate
OR1028914-01	4-Cyanophenyl 4- (Trans-4-Pentylcyclohexyl) Benzoate
OR1055094-01	4-Cyanophenyl 4- (trans-4-propylcyclohexyl) benzoate
OR1037074	4-Cyanophenyl trans-4-propylcyclohexane-1-carboxylate
270378-01	(±) -trans-4- (4-Cyanophenyl) pyrrolidine-3-carboxylic acid hydrochloride
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