Monomethyl Maleate - ≥90%(GC) , CAS No.3052-50-4

CAS: 3052-50-4 Cat. No.: M158075 Peso molecular: 130.1 Número EC: 221-271-3

GRADE & PURITY ≥90%(GC)

Synonyms

EN300-1440004 | U3UT1G2B9N | Bromure d'oxyphenonium [INN-French] | Oxifenamatum | MFCD00045905 | CAS-3052-50-4 | M0624 | Monomethyl (Z)-2-butenedioate | Hydrogen methyl maleate | Tox21_301490 | Monomethyl maleate | NSC11205 | NSC-11205 | (2Z)-4-methoxy-4-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

EN300-1440004 | U3UT1G2B9N | Bromure d'oxyphenonium [INN-French] | Oxifenamatum | MFCD00045905 | CAS-3052-50-4 | M0624 | Monomethyl (Z)-2-butenedioate | Hydrogen methyl maleate | Tox21_301490 | Monomethyl maleate | NSC11205 | NSC-11205 | (2Z)-4-methoxy-4-

Especificaciones y pureza

≥90%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥90%(GC)

Nombres e identificadores

• Pubchem Sid: 504763669
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763669
• Sonrisas canónicas: COC(=O)C=CC(=O)O
• IUPAC Name: (Z)-4-methoxy-4-oxobut-2-enoic acid
• InChIKey: NKHAVTQWNUWKEO-IHWYPQMZSA-N
• INCHI: 1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2-
• Isómeros SMILES: COC(=O)/C=C\C(=O)O
• Peso molecular: 130.1
• Reaxy-Rn: 14198178
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14198178&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Unsaturated fatty acids Dicarboxylic acids and derivatives Methyl esters Enoate esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

• Sensibilidad: air sensitive ，heat sensitive
• Índice de refracción: 1.46
• Peso molecular: 130.100 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 130.027 Da
• Monoisotopic Mass: 130.027 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 147.000
• 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