Methyl 3-(4-methoxyphenyl)propiolate - ≥98% , CAS No.7515-17-5

CAS: 7515-17-5 Cat. No.: M194900 Peso molecular: 190.2

GRADE & PURITY ≥98%

Synonyms

SCHEMBL17845127 | DTXSID20466482 | MFCD13191991 | Methyl 3-(4-methoxyphenyl)propalate | methyl3-(4-methoxyphenyl)propiolate | (4-Methoxy-phenyl)-propynoic acid methyl ester | Methyl 3-(4-methoxyphenyl)propiolate | AKOS013859695 | F11025 | methyl 3-(4-meth

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL17845127 | DTXSID20466482 | MFCD13191991 | Methyl 3-(4-methoxyphenyl)propalate | methyl3-(4-methoxyphenyl)propiolate | (4-Methoxy-phenyl)-propynoic acid methyl ester | Methyl 3-(4-methoxyphenyl)propiolate | AKOS013859695 | F11025 | methyl 3-(4-meth

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)C#CC(=O)OC
• IUPAC Name: methyl 3-(4-methoxyphenyl)prop-2-ynoate
• InChIKey: MIWQTCPRUGGBLM-UHFFFAOYSA-N
• INCHI: 1S/C11H10O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-4,6-7H,1-2H3
• Isómeros SMILES: COC1=CC=C(C=C1)C#CC(=O)OC
• Peso molecular: 190.2
• Reaxy-Rn: 2098737
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2098737&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Fatty acid esters Alkyl aryl ethers Ynoate esters Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Ynoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Propiedades químicas y físicas

• Peso molecular: 190.190 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 190.063 Da
• Monoisotopic Mass: 190.063 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 250.000
• 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