3-metiloxetano-3-carbaldehído - ≥97% , CAS No.99419-31-5

CAS: 99419-31-5 Cat. No.: M178611 Peso molecular: 100.12 Número EC: 800-649-7

GRADE & PURITY ≥97%

Synonyms

3-Methyl-oxetane-3-carbaldehyde | 3-methyloxetane-3-carbaldehyde | A858471 | J-512989 | EN300-179315 | MFCD09842436 | SY029425 | AKOS006230546 | 3-OXETANECARBOXALDEHYDE, 3-METHYL- | 3-METHYL-3-OXETANECARBOXALDEHYDE | 3-Methyl-3-oxetanecarboxaldehyde, Aldr

Storage

Temperatura ambiente

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

3-Methyl-oxetane-3-carbaldehyde | 3-methyloxetane-3-carbaldehyde | A858471 | J-512989 | EN300-179315 | MFCD09842436 | SY029425 | AKOS006230546 | 3-OXETANECARBOXALDEHYDE, 3-METHYL- | 3-METHYL-3-OXETANECARBOXALDEHYDE | 3-Methyl-3-oxetanecarboxaldehyde, Aldr

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1(COC1)C=O
• IUPAC Name: 3-methyloxetane-3-carbaldehyde
• InChIKey: DUQGFIKXKISULR-UHFFFAOYSA-N
• INCHI: 1S/C5H8O2/c1-5(2-6)3-7-4-5/h2H,3-4H2,1H3
• Isómeros SMILES: CC1(COC1)C=O
• Peso molecular: 100.12
• Reaxy-Rn: 13463740
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13463740&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxetanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxetanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxetanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxetane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three carbon atoms.
• 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: 100.120 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 84.100
• 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