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(2-oxocyclobutyl) acetate - 97%, high purity , CAS No.17082-62-1

COA

Grade & Purity:

≥97%

Cas Number: 17082-62-1
Molecular Weight: 128.13
PubChem CID: 21585939

In stock

Item Number

A630254

Grouped product items
SKU	Size	Availability	Price	Qty
A630254-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
A630254-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$971.90

Basic Description

Synonyms	(2-oxocyclobutyl) acetate \| 17082-62-1 \| 2-oxocyclobutyl acetate \| Cyclobutanone, 2-(acetyloxy)- \| starbld0032419 \| MFCD24689314 \| PB41218 \| AS-78925 \| P20079
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Alpha-acyloxy carbonyl compounds
        Level6 Alpha-acyloxy ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Alpha-acyloxy carbonyl compounds
Direct Parent	Alpha-acyloxy ketones
Alternative Parents	Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Alpha-acyloxy ketone - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-acyloxy ketones. These are ketones that have an acyloxy substituent alpha to the carbonyl group. They have the general structure R4C(=O)OC(R2)(R3)C(R1)=O (R1=organyl, R4=H or organyl; R2,R3 = any atom).
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	(2-oxocyclobutyl) acetate
INCHI	InChI=1S/C6H8O3/c1-4(7)9-6-3-2-5(6)8/h6H,2-3H2,1H3
InChIKey	LOOXBKMHXPOMFV-UHFFFAOYSA-N
Smiles	CC(=O)OC1CCC1=O
PubChem CID	21585939
Molecular Weight	128.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	128.130 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	128.047 Da
Monoisotopic Mass	128.047 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	150.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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