Methyl 2-(2-(benzyloxy)phenyl)acetate - ≥95% , CAS No.40525-65-3

CAS: 40525-65-3 Cat. No.: M589030 Peso molecular: 256.3

GRADE & PURITY ≥95%

Synonyms

FT-0758467 | 2-benzyloxyphenylacetic acid methyl ester | methyl 2-(phenylmethoxy)benzeneacetate | Methyl 2-(phenylmethoxy)-benzeneacetate | AB16613 | methyl 2-benzyloxyphenylacetate | O11845 | Methyl [2-(benzyloxy)phenyl]acetate | DTXSID90454376 | AC-1234

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0758467 | 2-benzyloxyphenylacetic acid methyl ester | methyl 2-(phenylmethoxy)benzeneacetate | Methyl 2-(phenylmethoxy)-benzeneacetate | AB16613 | methyl 2-benzyloxyphenylacetate | O11845 | Methyl [2-(benzyloxy)phenyl]acetate | DTXSID90454376 | AC-1234

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Desiccated, Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504765970
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765970
• Sonrisas canónicas: COC(=O)CC1=CC=CC=C1OCC2=CC=CC=C2
• IUPAC Name: methyl 2-(2-phenylmethoxyphenyl)acetate
• InChIKey: CPIKEDMPXDEUED-UHFFFAOYSA-N
• INCHI: 1S/C16H16O3/c1-18-16(17)11-14-9-5-6-10-15(14)19-12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
• Isómeros SMILES: COC(=O)CC1=CC=CC=C1OCC2=CC=CC=C2
• Peso molecular: 256.3
• Reaxy-Rn: 2862439
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2862439&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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: 256.300 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 256.11 Da
• Monoisotopic Mass: 256.11 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 271.000
• 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