GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(C=C1)C)OCC2=CC=C(O2)C(=O)NN
• IUPAC Name: 5-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide
• InChIKey: GXDIXIQKOUWJTP-UHFFFAOYSA-N
• INCHI: 1S/C14H16N2O3/c1-9-3-4-10(2)13(7-9)18-8-11-5-6-12(19-11)14(17)16-15/h3-7H,8,15H2,1-2H3,(H,16,17)
• Isómeros SMILES: CC1=CC(=C(C=C1)C)OCC2=CC=C(O2)C(=O)NN
• PubChem CID: 586918
• Peso molecular: 260.293

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: p-Xylenes Phenoxy compounds Furoic acid and derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid hydrazides Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Furoic acid or derivatives - Phenoxy compound - P-xylene - Xylene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Furan - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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: 260.290 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 260.116 Da
• Monoisotopic Mass: 260.116 Da
• Topological Polar Surface Area: 77.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 311.000
• 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