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isopropyl 3-oxocyclobutanecarboxylate - 97%, high purity , CAS No.130111-95-4

COA

Grade & Purity:

≥97%

Cas Number: 130111-95-4
Molecular Weight: 156.18
PubChem CID: 71473312

In stock

Item Number

I683207

Grouped product items
SKU	Size	Availability	Price
I683207-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90
I683207-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$66.90
I683207-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90

View related series

Cyclobutane compounds (25)

Basic Description

Synonyms	Propan-2-yl-oxocyclobutane carboxylate \| propan-2-yl 3-oxocyclobutane-1-carboxylate
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
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

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acid esters
Alternative Parents	Cyclic ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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

INCHI	InChI=1S/C8H12O3/c1-5(2)11-8(10)6-3-7(9)4-6/h5-6H,3-4H2,1-2H3
InChIKey	NMFKKFJNWCNMES-UHFFFAOYSA-N
Smiles	CC(C)OC(=O)C1CC(=O)C1
Isomeric SMILES	CC(C)OC(=O)C1CC(=O)C1
PubChem CID	71473312
Molecular Weight	156.18

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
G2507771	Certificate of Analysis	Jun 30, 2025	I683207
G2507772	Certificate of Analysis	Jun 30, 2025	I683207
G2507773	Certificate of Analysis	Jun 30, 2025	I683207
G2507774	Certificate of Analysis	Jun 30, 2025	I683207
G2507775	Certificate of Analysis	Jun 30, 2025	I683207
G2507776	Certificate of Analysis	Jun 30, 2025	I683207

Chemical and Physical Properties

Molecular Weight	156.180 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	156.079 Da
Monoisotopic Mass	156.079 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	176.000
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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