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ethyl cis-3-hydroxy-1-methyl-cyclobutanecarboxylate - 97%, high purity , CAS No.1408074-72-5

COA

Grade & Purity:

≥97%

Cas Number: 1408074-72-5
Molecular Weight: 158.19
MDL number: MFCD23105927
PubChem CID: 72207668

In stock

Item Number

E628960

Grouped product items
SKU	Size	Availability	Price
E628960-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$157.90
E628960-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$251.90
E628960-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$419.90
E628960-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$629.90
E628960-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,151.90

Basic Description

Synonyms	AS-51772 \| 1823058-98-5 \| ethyl3-hydroxy-1-methyl-cyclobutanecarboxylate \| Ethyl (1s,3r)-3-hydroxy-1-methylcyclobutane-1-carboxylate \| PB38290 \| SB20571 \| SCHEMBL14127655 \| SMR002529950 \| (1r,3r)-ethyl 3-hydroxy-1-methylcyclobutanecarboxylate \| ethyl rel-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Cyclic alcohols and derivatives
Alternative Parents	Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Secondary alcohol - Cyclobutanol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl 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	ethyl 3-hydroxy-1-methylcyclobutane-1-carboxylate
INCHI	InChI=1S/C8H14O3/c1-3-11-7(10)8(2)4-6(9)5-8/h6,9H,3-5H2,1-2H3
InChIKey	QBOGWOWEVMVLTQ-UHFFFAOYSA-N
Smiles	CCOC(=O)C1(CC(C1)O)C
Isomeric SMILES	CCOC(=O)C1(CC(C1)O)C
Alternate CAS	1408074-72-5
PubChem CID	72207668
Molecular Weight	158.19

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	158.190 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	158.094 Da
Monoisotopic Mass	158.094 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	159.000
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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