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4-methyl-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid - 97%, high purity , CAS No.2168062-80-2

COA

Grade & Purity:

≥97%

Cas Number: 2168062-80-2
Molecular Weight: 142.15
EC Number: 852-263-3
PubChem CID: 137965588

In stock

Item Number

M631895

Grouped product items
SKU	Size	Availability	Price
M631895-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$324.90
M631895-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$519.90
M631895-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$866.90
M631895-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,561.90

Basic Description

Synonyms	(1r,4s)-4-methyl-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid \| 2168062-80-2 \| EN300-26979157 \| SY323709 \| EN300-832814 \| PS-19708 \| AT20091 \| CS-0134113 \| 4-Methyl-2-oxabicyclo[2.1.1]hexane-1-carboxylicacid \| 4-Methyl-2-oxabicyclo[2.1.1]hexane-1-carboxyli
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	Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Tetrahydrofuran - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - 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	4-methyl-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
INCHI	InChI=1S/C7H10O3/c1-6-2-7(3-6,5(8)9)10-4-6/h2-4H2,1H3,(H,8,9)
InChIKey	MMIUMWSBCLBMFV-UHFFFAOYSA-N
Smiles	CC12CC(C1)(OC2)C(=O)O
Isomeric SMILES	CC12CC(C1)(OC2)C(=O)O
Alternate CAS	2168062-80-2
PubChem CID	137965588
Molecular Weight	142.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	142.150 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	142.063 Da
Monoisotopic Mass	142.063 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	191.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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