Allylisonicotinat - ≥98% , CAS No.25635-24-9

CAS: 25635-24-9 Cat. No.: A151152 Summenformel: C₉H₉NO₂ Molekulargewicht: 163.18 EG-Nummer: 679-758-5

GRADE & PURITY ≥98%

Synonyms

Isonicotinic acid allyl ester | AKOS025394573 | Allyl 4-Pyridinecarboxylate | InChI=1/C9H9NO2/c1-2-7-12-9(11)8-3-5-10-6-4-8/h2-6H,1,7H | Isonicotinic acid allylester | MFCD00059786 | FT-0693026 | SCHEMBL9238807 | I0136 | D91085 | Allyl isonicotinate | ORS

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Specifications

Synonyme

Isonicotinic acid allyl ester | AKOS025394573 | Allyl 4-Pyridinecarboxylate | InChI=1/C9H9NO2/c1-2-7-12-9(11)8-3-5-10-6-4-8/h2-6H,1,7H | Isonicotinic acid allylester | MFCD00059786 | FT-0693026 | SCHEMBL9238807 | I0136 | D91085 | Allyl isonicotinate | ORS

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508813490

Kanonisches Lächeln

C=CCOC(=O)C1=CC=NC=C1

IUPAC Name

prop-2-enyl pyridine-4-carboxylate

InChIKey

ORSMQFTVFDSEBA-UHFFFAOYSA-N

INCHI

1S/C9H9NO2/c1-2-7-12-9(11)8-3-5-10-6-4-8/h2-6H,1,7H2

Isomere SMILES

C=CCOC(=O)C1=CC=NC=C1

Molekulargewicht

163.18

Reaxy-Rn

122430

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122430&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.51
• Siedepunkt (°C): 106°C/10mmHg(lit.)
• Molekulargewicht: 163.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 163.063 Da
• Monoisotopic Mass: 163.063 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 162.000
• 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