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Cyclobutanecarboxaldehyde , CAS No.2987-17-9

COA

Cas Number: 2987-17-9
PubChem CID: 12431621

In stock

Item Number

C347451

Grouped product items
SKU	Size	Availability	Price	Qty
C347451-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$209.90

Basic Description

Synonyms	STL553793 \| A820088 \| SY019700 \| J-520133 \| 2-cyclobutanecarbaldehyde \| Z1079442452 \| cyclobutane carboxaldehyde \| cyclobutanecarbaldehyde \| Cyclobutane-carbaldehyde \| AKOS012298721 \| cyclobutanecarboaldehyde \| Cyclobutanecarboxaldehyde \| DTXSID70498011 \|
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organic oxides

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organic oxides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organic oxides
Alternative Parents	Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	cyclobutanecarbaldehyde
INCHI	InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2
InChIKey	INVYSLWXPIEDIQ-UHFFFAOYSA-N
Smiles	C1CC(C1)C=O
Isomeric SMILES	C1CC(C1)C=O
Reaxy-Rn	2037572
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2037572&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	84.120 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	84.0575 Da
Monoisotopic Mass	84.0575 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	55.000
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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