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2-Cyclobutyl-2-oxoacetic acid - ≥95%, high purity , CAS No.13884-85-0

COA

Grade & Purity:

≥95%

Cas Number: 13884-85-0
Molecular Weight: 128.13
EC Number: 839-169-8
PubChem CID: 21188140

In stock

Item Number

C729977

Grouped product items
SKU	Size	Availability	Price
C729977-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$474.90
C729977-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$710.90
C729977-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,179.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Keto acids and derivatives
    - Subclass Alpha-keto acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Keto acids and derivatives
Subclass	Alpha-keto acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Alpha-keto acids and derivatives
Alternative Parents	Alpha-hydroxy ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Alpha-keto acid - Alpha-hydroxy ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - 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 alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.
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-cyclobutyl-2-oxoacetic acid
INCHI	InChI=1S/C6H8O3/c7-5(6(8)9)4-2-1-3-4/h4H,1-3H2,(H,8,9)
InChIKey	VTIQFAXBEUIRDI-UHFFFAOYSA-N
Smiles	C1CC(C1)C(=O)C(=O)O
Isomeric SMILES	C1CC(C1)C(=O)C(=O)O
Alternate CAS	13884-85-0
PubChem CID	21188140
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	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	128.047 Da
Monoisotopic Mass	128.047 Da
Topological Polar Surface Area	54.400 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	146.000
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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