(1-Ethynylcyclopropyl)benzene (Cas No 139633-98-0) ≥98% high purity and research grade

Kanonisches Lächeln	C#CC1(CC1)C2=CC=CC=C2
IUPAC Name	(1-ethynylcyclopropyl)benzene
InChIKey	JZMJNHMUPFGYFK-UHFFFAOYSA-N
INCHI	1S/C11H10/c1-2-11(8-9-11)10-6-4-3-5-7-10/h1,3-7H,8-9H2
Isomere SMILES	C#CC1(CC1)C2=CC=CC=C2
Molekulargewicht	142.2
Reaxy-Rn	5805958
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5805958&ln=

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Klasse	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Aromatic hydrocarbons Acetylides Acetylenes
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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	142.200 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	142.078 Da
Monoisotopic Mass	142.078 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	183.000
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

Lösungsrechner

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Bewertungen

(1-Ethynylcyclopropyl)benzene - ≥98% , CAS No.139633-98-0