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Methyl cyclohexanecarboxylate

CAT: 1410-M27564-01Size: 1 gDry Ice: NoHazardous: No
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Description
Methyl cyclohexanecarboxylate is an endogenous metabolite and used as a material for chemical synthesis.
CAS Number
4630-82-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
142.198
Molecular Formula
C8H14O2
Notes
Research use only, not for human use.
Receptor
Bacterial|β-Lactamase

Chemical Information

Methyl cyclohexanecarboxylate

Methyl cyclohexanecarboxylate is a methyl ester resulting from the formal condensation of the carboxy group of cyclohexanecarboxylic acid with methanol. It has a role as a flavouring agent and a human metabolite. It is a volatile organic compound and a methyl ester. It is functionally related to a cyclohexanecarboxylic acid.

CAS Number4630-82-4
PubChem CID20748
IUPAC Namemethyl cyclohexanecarboxylate
Molecular FormulaC8H14O2
Molecular Weight142.20
XLogP2.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity114
SMILES
COC(=O)C1CCCCC1
InChI
InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey
ZQWPRMPSCMSAJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl cyclohexanecarboxylate
CAS: 4630-82-4
CID: 20748
Formula: C8H14O2
MW: 142.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.20
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass142.099379685
Monoisotopic Mass142.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity114
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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Alternative Products

CatalogName
MBS5756881Methyl cyclohexanecarboxylate
HY-W007704R-01Methyl cyclohexanecarboxylate (Standard)
sc-263474AMethyl 1-aminomethyl-cyclohexanecarboxylate
OR1057850-01Methyl 3- (hydroxymethyl) cyclohexanecarboxylate
OR1101493Methyl 4- (Hydroxymethyl) Cyclohexanecarboxylate
M327123Methyl 4-(Hydroxymethyl)cyclohexanecarboxylate
OR74120-01Methyl 4- (bromomethyl) cyclohexanecarboxylate
sc-269404Methyl 1-aminomethyl-cyclohexanecarboxylate HCl
OR1068234-01Cis-Methyl 4- (hydroxymethyl) cyclohexanecarboxylate
OR1004805-01Methyl 1- (3-phenylpropyl) cyclohexanecarboxylate

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