Dimethyl trans-Stilbene-4,4'-dicarboxylate - ≥98%(HPLC) , CAS No.34541-73-6

CAS: 34541-73-6 Cat. No.: D154482 Peso molecular: 296.32 Beilstein Registry Number: 9(3)4595

GRADE & PURITY ≥98%(HPLC)

Synonyms

AS-70914 | methyl 4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoate | Benzoic acid,4,4'-(1,2-ethenediyl)bis-, 1,1'-dimethyl ester | DIMETHYL CIS-STILBENE-4,4-DICARBOXYLATE | JOODVYOWCWQPMV-ONEGZZNKSA-N | Dimethyl 4,4'-(ethene-1,2-diyl)(E)-dibenzoate | S0

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-70914 | methyl 4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoate | Benzoic acid, 4, 4'-(1, 2-ethenediyl)bis-, 1, 1'-dimethyl ester | DIMETHYL CIS-STILBENE-4, 4-DICARBOXYLATE | JOODVYOWCWQPMV-ONEGZZNKSA-N | Dimethyl 4, 4'-(ethene-1, 2-diyl)(E)-dibenzoate | S0

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(=O)OC
• IUPAC Name: methyl 4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoate
• InChIKey: JOODVYOWCWQPMV-ONEGZZNKSA-N
• INCHI: 1S/C18H16O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h3-12H,1-2H3/b4-3+
• Isómeros SMILES: COC(=O)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(=O)OC
• Peso molecular: 296.32
• Beilstein: 9(3)4595
• Reaxy-Rn: 2386934
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2386934&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Benzoic acid esters Styrenes Benzoyl derivatives Dicarboxylic acids and derivatives Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Styrene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

• Punto de fusión (°C): 238 °C
• Peso molecular: 296.300 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 296.105 Da
• Monoisotopic Mass: 296.105 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 361.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1