1-Methoxypyrene - ≥97% , CAS No.34246-96-3

CAS: 34246-96-3 Cat. No.: M158136 Fórmula: C₁₇H₁₂O Peso molecular: 232.28

GRAU & PUREZA ≥97%

Synonyms

AKOS025396560 | Methoxy pyrene | SB66997 | CHEBI:81610 | 1-Methoxypyrene | A851191 | C18259 | CPPFVJLHDNOVTN-UHFFFAOYSA-N | M2919 | MFCD00127747 | SCHEMBL2351815 | Methyl-1-pyrenyl ether | AS-56673 | I11492 | DTXSID00187820 | Pyrene, 1-methoxy- | Q2715549

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

AKOS025396560 | Methoxy pyrene | SB66997 | CHEBI:81610 | 1-Methoxypyrene | A851191 | C18259 | CPPFVJLHDNOVTN-UHFFFAOYSA-N | M2919 | MFCD00127747 | SCHEMBL2351815 | Methyl-1-pyrenyl ether | AS-56673 | I11492 | DTXSID00187820 | Pyrene, 1-methoxy- | Q2715549

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488188315

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188315

Sorrisos canónicos

COC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

IUPAC Name

1-methoxypyrene

InChIKey

CPPFVJLHDNOVTN-UHFFFAOYSA-N

INCHI

1S/C17H12O/c1-18-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10H,1H3

SMILES isoméricas

COC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Peso molecular

232.28

Reaxy-Rn

1878124

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1878124&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrenes and derivatives Naphthalenes Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• External Descriptors: pyrenes

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

Propriedades químicas e físicas

• Ponto de fusão (°C): 87 °C
• Peso molecular: 232.280 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 232.089 Da
• Monoisotopic Mass: 232.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 313.000
• 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