6-Hydroxychromene-3-carboxaldehyde - ≥97% , CAS No.134822-76-7

CAS: 134822-76-7 Cat. No.: H167050 Summenformel: C₁₀H₈O₃ Molekulargewicht: 176.17 EG-Nummer: 634-376-8

GRADE & PURITY ≥97%

Synonyms

6-Hydroxy-2H-chromene-3-carboxaldehyde | 6-Hydroxychromene-3-carboxaldehyde, 97% | J-006610 | JSPGOHYLKVWWKI-UHFFFAOYSA-N | MFCD03548123 | AKOS000296863 | DTXSID50406391 | 6-Hydroxychromene-3-carboxaldehyde | FT-0621165 | PS-11568 | 6-Hydroxy-2H-3-chromen

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

6-Hydroxy-2H-chromene-3-carboxaldehyde | 6-Hydroxychromene-3-carboxaldehyde, 97% | J-006610 | JSPGOHYLKVWWKI-UHFFFAOYSA-N | MFCD03548123 | AKOS000296863 | DTXSID50406391 | 6-Hydroxychromene-3-carboxaldehyde | FT-0621165 | PS-11568 | 6-Hydroxy-2H-3-chromen

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488194988

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194988

Kanonisches Lächeln

C1C(=CC2=C(O1)C=CC(=C2)O)C=O

IUPAC Name

6-hydroxy-2H-chromene-3-carbaldehyde

InChIKey

JSPGOHYLKVWWKI-UHFFFAOYSA-N

INCHI

1S/C10H8O3/c11-5-7-3-8-4-9(12)1-2-10(8)13-6-7/h1-5,12H,6H2

Isomere SMILES

C1C(=CC2=C(O1)C=CC(=C2)O)C=O

WGK Deutschland

3

Molekulargewicht

176.17

Reaxy-Rn

6646155

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6646155&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamaldehydes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamaldehydes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamaldehydes
• Alternative Parents: 1-benzopyrans Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyran - Cinnamaldehyde - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Aldehyde - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Molekulargewicht: 176.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 176.047 Da
• Monoisotopic Mass: 176.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 234.000
• 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