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(4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol - 97%, high purity , CAS No.2168105-37-9

COA

Grade & Purity:

≥97%

Cas Number: 2168105-37-9
Molecular Weight: 128.17
EC Number: 842-225-4
PubChem CID: 132398548

In stock

Item Number

M631899

Grouped product items
SKU	Size	Availability	Price
M631899-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$337.90
M631899-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$539.90
M631899-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$899.90
M631899-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,621.90

Basic Description

Synonyms	{4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl}methanol \| MFCD31616419 \| [(1r,4s)-4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl]methanol \| EN300-27194035 \| D79518 \| (4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanol \| CS-0134108 \| EN300-832812 \| {4-METHYL-2-OXABICYCLO[2.
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 Dialkyl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Tetrahydrofuran - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - 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]hexan-1-yl)methanol
INCHI	InChI=1S/C7H12O2/c1-6-2-7(3-6,4-8)9-5-6/h8H,2-5H2,1H3
InChIKey	WBLJEAWYWFCKHJ-UHFFFAOYSA-N
Smiles	CC12CC(C1)(OC2)CO
Isomeric SMILES	CC12CC(C1)(OC2)CO
Alternate CAS	2168105-37-9
PubChem CID	132398548
Molecular Weight	128.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	128.169 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	128.084 Da
Monoisotopic Mass	128.084 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	136.000
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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