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methyl cis-3-hydroxycyclobutanecarboxylate - 97%, high purity , CAS No.63485-50-7

COA

Grade & Purity:

≥97%

Cas Number: 63485-50-7
Molecular Weight: 130.143
PubChem CID: 12815112

In stock

Item Number

M176998

Grouped product items
SKU	Size	Availability	Price
M176998-250mg	250mg	3	$20.90
M176998-1g	1g	7	$58.90
M176998-5g	5g	5	$224.90
M176998-25g	25g	3	$1,012.90
M176998-100g	100g	1	$3,643.90

Basic Description

Synonyms	Methyl 3-hydroxycyclobutanecarboxylate \| 4934-99-0 \| 63485-51-8 \| 63485-50-7 \| trans-Methyl 3-hydroxycyclobutanecarboxylate \| Methyl cis-3-hydroxycyclobutanecarboxylate \| CIS-METHYL 3-HYDROXYCYCLOBUTANECARBOXYLATE \| METHYL TRANS-3-HYDROXYCYCLOBUTANECARBOXYLATE \| methyl 3
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid esters
        Level6 Methyl esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Carboxylic acid esters
Direct Parent	Methyl esters
Alternative Parents	Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Methyl ester - Secondary alcohol - Cyclobutanol - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
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 3-hydroxycyclobutane-1-carboxylate
INCHI	InChI=1S/C6H10O3/c1-9-6(8)4-2-5(7)3-4/h4-5,7H,2-3H2,1H3
InChIKey	BYKHAEUVLSBWSU-UHFFFAOYSA-N
Smiles	COC(=O)C1CC(C1)O
Isomeric SMILES	COC(=O)C1CC(C1)O
Molecular Weight	130.143
Reaxy-Rn	2637759
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2637759&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
G2320930	Certificate of Analysis	Jun 26, 2023	M176998
G2320932	Certificate of Analysis	Jun 26, 2023	M176998
G2320926	Certificate of Analysis	Jun 26, 2023	M176998
G2320918	Certificate of Analysis	Jun 26, 2023	M176998
G2320933	Certificate of Analysis	Jun 26, 2023	M176998
G2320935	Certificate of Analysis	Jun 26, 2023	M176998
G2320936	Certificate of Analysis	Jun 26, 2023	M176998
G2320928	Certificate of Analysis	Jun 26, 2023	M176998
G2320929	Certificate of Analysis	Jun 26, 2023	M176998
G2320931	Certificate of Analysis	Jun 26, 2023	M176998

Chemical and Physical Properties

Molecular Weight	130.139 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	130.063 Da
Monoisotopic Mass	130.063 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	115.000
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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