Skip to the beginning of the images gallery

5-methoxycarbonylbicyclo[3.2.1]octane-1-carboxylic acid - 97%, high purity , CAS No.110371-27-2

COA

Grade & Purity:

≥97%

Cas Number: 110371-27-2
Molecular Weight: 212.24
EC Number: 875-323-0
PubChem CID: 13761773

In stock

Item Number

M626873

Grouped product items
SKU	Size	Availability	Price
M626873-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$156.90
M626873-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$249.90
M626873-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$416.90
M626873-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$624.90
M626873-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,126.90

Basic Description

Synonyms	DTXSID10548706 \| AS-82347 \| EN300-9428677 \| 5-(Methoxycarbonyl)bicyclo[3.2.1]octane-1-carboxylic acid \| CS-0217942 \| Oprea1_045954 \| SCHEMBL1567508 \| bicyclo[3.2.1]octane-1,5-dicarboxylic acid monomethyl ester \| E77449 \| 5-(Methoxycarbonyl)bicyclo[3.2.1]o
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Dicarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Dicarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Dicarboxylic acids and derivatives
Alternative Parents	Methyl esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	5-methoxycarbonylbicyclo[3.2.1]octane-1-carboxylic acid
INCHI	InChI=1S/C11H16O4/c1-15-9(14)11-4-2-3-10(7-11,5-6-11)8(12)13/h2-7H2,1H3,(H,12,13)
InChIKey	WDMXFGRBVZYIIN-UHFFFAOYSA-N
Smiles	COC(=O)C12CCCC(C1)(CC2)C(=O)O
Isomeric SMILES	COC(=O)C12CCCC(C1)(CC2)C(=O)O
Alternate CAS	110371-27-2
PubChem CID	13761773
Molecular Weight	212.24

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	212.240 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	212.105 Da
Monoisotopic Mass	212.105 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	312.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration