1- (4-Methoxyphenyl) -1-cyclohexanecarbonitrile

CAT: 0024-sc-264598Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-264598Size:5 g

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CAS Number

36263-51-1

Chemical Information

1-(4-Methoxyphenyl)cyclohexanecarbonitrile

CAS Number	36263-51-1
PubChem CID	98629
IUPAC Name	1-(4-methoxyphenyl)cyclohexane-1-carbonitrile
Molecular Formula	C14H17NO
Molecular Weight	215.29
XLogP	3.5
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	264

SMILES

COC1=CC=C(C=C1)C2(CCCCC2)C#N

InChI

InChI=1S/C14H17NO/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3

InChIKey

YQXUSXSQFVWPRQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36263-51-1

CID: 98629

Formula: C14H17NO

MW: 215.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.29
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	215.131014166
Monoisotopic Mass	215.131014166
Topological Polar Surface Area	33 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	264
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-281889	1- (4-methylphenyl) cyclohexanecarbonitrile
sc-237651	1,1'-Azobis (cyclohexanecarbonitrile)
sc-281943	1- (dimethylamino) cyclohexanecarbonitrile
sc-273102	1- (Chloromethyl) cyclohexanecarbonitrile
sc-273113	1- (methylamino) cyclohexanecarbonitrile
sc-333563A	1-[4- (chloroacetyl) piperazin-1-yl]cyclohexanecarbonitrile
sc-333563	1-[4- (chloroacetyl) piperazin-1-yl]cyclohexanecarbonitrile
sc-332142	1- (2-Chloro-4-fluoropenyl) -cyclohexanecarbonitrile
sc-234447	Cyclohexanecarbonitrile
sc-209960	4-Benzyloxy-1-cyclohexanecarbonitrile (cis / trans mixture)

Catalog	Name
OR1008951-01	1- (4-Methoxyphenyl) Cyclohexanecarbonitrile
408146-01	1- (4-Fluorophenyl) cyclohexanecarbonitrile
OR1087205-01	1- (4-methoxybenzoyl) cyclohexanecarbonitrile
SDC65769-01	4- (Trifluoromethyl) cyclohexanecarbonitrile
PC1006440-01	1- (3,4-Difluorophenyl) cyclohexanecarbonitrile
VVB68860-01	4-Oxo-1- (3-pyridinyl) -cyclohexanecarbonitrile
FDA13911-01	4-Oxo-1- (2-pyridinyl) cyclohexanecarbonitrile
MBS6037514-01	4-Benzyloxy-1-cyclohexanecarbonitrile (cis/trans mixture)
B286335	4-Benzyloxy-1-cyclohexanecarbonitrile (cis / trans mixture)
YTA92379-01	Trans-4-N-Boc-Aminomethyl-cyclohexanecarbonitrile