Cyclohexanecarboxylic acid (Standard)

CAT: 0804-HY-Y1373R-04Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-Y1373R-04Size:250 mg

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Description

Cyclohexanecarboxylic acid (Standard) is the analytical standard of Cyclohexanecarboxylic acid. This product is intended for research and analytical applications. Cyclohexanecarboxylic acid is a Valproate structural analogue with anticonvulsant action[1].

CAS Number

98-89-5

Product Name Alternative

Hexahydrobenzoic acid (Standard)

UNSPSC

12352211

Target

Endogenous Metabolite; Reference Standards

Type

Reference Standards

Related Pathways

Metabolic Enzyme/Protease; Others

Field of Research

Neurological Disease

Assay Protocol

https://www.medchemexpress.com/cyclohexanecarboxylic-acid-standard.html

Smiles

O=C(C1CCCCC1)O

Molecular Formula

C7H12O2

Molecular Weight

128.17

References & Citations

[1]Liu MJ, et al. Pharmacokinetics and pharmacodynamics of valproate analogues in rats. IV. Anticonvulsant action and neurotoxicity of octanoic acid, cyclohexanecarboxylic acid, and 1-methyl-1-cyclohexanecarboxylic acid. Epilepsia. 1994 Jan-Feb;35 (1) :234-43.

Shipping Conditions

Room temperature

Scientific Category

Reference Standards

Chemical Information

Cyclohexanecarboxylic acid

Cyclohexanecarboxylic acid is a monocarboxylic acid that consists of cyclohexane substituted by a carboxy group. It is a conjugate acid of a cyclohexanecarboxylate.

CAS Number	98-89-5
PubChem CID	7413
IUPAC Name	cyclohexanecarboxylic acid
Molecular Formula	C7H12O2
Molecular Weight	128.17
XLogP	1.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	103

SMILES

C1CCC(CC1)C(=O)O

InChI

InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)

InChIKey

NZNMSOFKMUBTKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 98-89-5

CID: 7413

Formula: C7H12O2

MW: 128.17

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	128.17
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	128.083729621
Monoisotopic Mass	128.083729621
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	103
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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379994	Cyclohexanecarboxylic acid
269262-01	Cyclohexanecarboxylic acid anhydride
C30200-01	Cyclohexanecarboxylic acid 95%

Cyclohexanecarboxylic acid (Standard)

Chemical Information

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