(E)-Methyl 2-(methoxyimino)-2-(o-tolyl)acetate - ≥95% , CAS No.120974-97-2

CAS: 120974-97-2 Cat. No.: E586602 Summenformel: C₁₁H₁₃NO₃ Molekulargewicht: 207.23

GRADE & PURITY ≥95%

Synonyms

Methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate | Methyl (E)-2-(methoxyimino)-2-(o-tolyl)acetate | SCHEMBL3747106 | (E)-+/--(Methoxyimino)-2-methylbenzeneacetic-d7 Acid Methyl Ester | AS-75807 | Methyl (2E)-(methoxyimino)(2-methylphenyl)acetate | sta

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

Methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate | Methyl (E)-2-(methoxyimino)-2-(o-tolyl)acetate | SCHEMBL3747106 | (E)-+/--(Methoxyimino)-2-methylbenzeneacetic-d7 Acid Methyl Ester | AS-75807 | Methyl (2E)-(methoxyimino)(2-methylphenyl)acetate | sta

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

508806602

Kanonisches Lächeln

CC1=CC=CC=C1C(=NOC)C(=O)OC

IUPAC Name

methyl (2E)-2-methoxyimino-2-(2-methylphenyl)acetate

InChIKey

YCINJZQUXAFTQD-ZRDIBKRKSA-N

INCHI

1S/C11H13NO3/c1-8-6-4-5-7-9(8)10(12-15-3)11(13)14-2/h4-7H,1-3H3/b12-10+

Isomere SMILES

CC1=CC=CC=C1/C(=N\OC)/C(=O)OC

Molekulargewicht

207.23

Reaxy-Rn

14738389

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14738389&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane 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

• Molekulargewicht: 207.230 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 207.09 Da
• Monoisotopic Mass: 207.09 Da
• Topological Polar Surface Area: 47.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 250.000
• 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