2-Methyl-2H-chromene-3-carbaldehyde - ≥95% , CAS No.57543-42-7

CAS: 57543-42-7 Cat. No.: M589537 Peso molecular: 174.20

GRADE & PURITY ≥95%

Synonyms

DTXSID30973091 | MFCD01662425 | BBL010399 | BRN 1638428 | AKOS016039093 | 2H-1-BENZOPYRAN-3-CARBOXALDEHYDE, 2-METHYL- | 2-methyl-2H-chromene-3-carbaldehyde | 2-Methyl-2H-1-benzopyran-3-carboxaldehyde | F74348 | VS-02475 | STK801581 | AKOS002285623 | 2-Met

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID30973091 | MFCD01662425 | BBL010399 | BRN 1638428 | AKOS016039093 | 2H-1-BENZOPYRAN-3-CARBOXALDEHYDE, 2-METHYL- | 2-methyl-2H-chromene-3-carbaldehyde | 2-Methyl-2H-1-benzopyran-3-carboxaldehyde | F74348 | VS-02475 | STK801581 | AKOS002285623 | 2-Met

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504753614
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753614
• Sonrisas canónicas: CC1C(=CC2=CC=CC=C2O1)C=O
• IUPAC Name: 2-methyl-2H-chromene-3-carbaldehyde
• InChIKey: XVXWDVISFYVJQD-UHFFFAOYSA-N
• INCHI: 1S/C11H10O2/c1-8-10(7-12)6-9-4-2-3-5-11(9)13-8/h2-8H,1H3
• Isómeros SMILES: CC1C(=CC2=CC=CC=C2O1)C=O
• Peso molecular: 174.20
• Reaxy-Rn: 1638428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1638428&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Alkyl aryl ethers Benzenoids Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - Alkyl aryl ether - Benzenoid - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• 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: 174.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.068 Da
• Monoisotopic Mass: 174.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 232.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1