Name: 1-cyclobutylpropan-2-one - ≥97% , CAS No.13027-76-4
SKU: C628157
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Klasse	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	112.170 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	112.089 Da
Monoisotopic Mass	112.089 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	92.600
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

Lösungsrechner

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Bewertungen

Kanonisches Lächeln	CC(=O)CC1CCC1
IUPAC Name	1-cyclobutylpropan-2-one
InChIKey	DSZACMSTKNWDET-UHFFFAOYSA-N
INCHI	1S/C7H12O/c1-6(8)5-7-3-2-4-7/h7H,2-5H2,1H3
Isomere SMILES	CC(=O)CC1CCC1
Alternative CAS-Nummer	13027-76-4
PubChem CID	12544790
Molekulargewicht	112.17

1-cyclobutylpropan-2-one - ≥97% , CAS No.13027-76-4

Specifications