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methyl endo-7-oxabicyclo[2.2.1]heptane-2-carboxylate - 97%, high purity , CAS No.17791-35-4

COA

Grade & Purity:

≥97%

Cas Number: 17791-35-4
Molecular Weight: 156.18
PubChem CID: 304351

In stock

Item Number

M630325

Grouped product items
SKU	Size	Availability	Price
M630325-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$181.90
M630325-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$289.90
M630325-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$483.90
M630325-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$724.90
M630325-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,626.90

Basic Description

Synonyms	methyl exo-7-oxabicyclo[2.2.1]heptane-2-carboxylate \| NSC196152 \| NSC-196152 \| EN300-156773 \| DTXSID30307877 \| UYMKMUZNHJKUQB-UHFFFAOYSA-N \| methyl 7-oxa-2-norbornanecarboxylate \| methyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate \| SCHEMBL5400994 \| AKOS0331
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Tetrahydrofurans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Tetrahydrofurans
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Tetrahydrofurans
Alternative Parents	Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Methyl ester - Tetrahydrofuran - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
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	methyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate
INCHI	InChI=1S/C8H12O3/c1-10-8(9)6-4-5-2-3-7(6)11-5/h5-7H,2-4H2,1H3
InChIKey	UYMKMUZNHJKUQB-UHFFFAOYSA-N
Smiles	COC(=O)C1CC2CCC1O2
Isomeric SMILES	COC(=O)C1CC2CCC1O2
Alternate CAS	17791-35-4,21987-32-6
PubChem CID	304351
NSC Number	196152
Molecular Weight	156.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	156.180 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	156.079 Da
Monoisotopic Mass	156.079 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	178.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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