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

CAS: 57543-42-7 Cat. No.: M589537 Molecular Weight: 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

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

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504753614
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753614
• Canonical Smiles: 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
• Isomeric SMILES: CC1C(=CC2=CC=CC=C2O1)C=O
• Molecular Weight: 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
    • Class Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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