2-Naphthyl propiolate - ≥95% , CAS No.91805-17-3

CAS: 91805-17-3 Cat. No.: N467459 Fórmula: C₁₃H₈O₂ Peso molecular: 196.21 Número CE: 663-267-8

GRADE & PURITY ≥95%

Synonyms

SCHEMBL11010762 | FT-0709589 | AKOS025295916 | 2-Naphthyl propiolate, 95% | Naphthalen-2-yl prop-2-ynoate | DTXSID90746400 | NS-00079 | 2-Naphthyl propiolate | Naphthalen-2-ylprop-2-ynoate | Naphthalen-2-yl propiolate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL11010762 | FT-0709589 | AKOS025295916 | 2-Naphthyl propiolate, 95% | Naphthalen-2-yl prop-2-ynoate | DTXSID90746400 | NS-00079 | 2-Naphthyl propiolate | Naphthalen-2-ylprop-2-ynoate | Naphthalen-2-yl propiolate

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: C#CC(=O)OC1=CC2=CC=CC=C2C=C1
• IUPAC Name: naphthalen-2-yl prop-2-ynoate
• InChIKey: ANECZRYIRALULR-UHFFFAOYSA-N
• INCHI: 1S/C13H8O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h1,3-9H
• SMILES isoméricas: C#CC(=O)OC1=CC2=CC=CC=C2C=C1
• WGK Alemanha: 3
• Peso molecular: 196.21
• Reaxy-Rn: 1957080
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1957080&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Phenol esters Ynoate esters Monocarboxylic acids and derivatives Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenol ester - Naphthalene - Alpha,beta-unsaturated carboxylic ester - Ynoate ester - Carboxylic acid ester - Acetylide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: Not available

Data sources

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

Propriedades químicas e físicas

• Peso molecular: 196.200 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 196.052 Da
• Monoisotopic Mass: 196.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 286.000
• 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