3-Allyl-4-hydroxybenzaldehyde - ≥95% , CAS No.41052-88-4

CAS: 41052-88-4 Cat. No.: A479052 Summenformel: C₁₀H₁₀O₂ Molekulargewicht: 162.19 EG-Nummer: 809-414-3

GRADE & PURITY ≥95%

Synonyms

DTXSID10406059 | W-204809 | HDZJQLIQQWIJBW-UHFFFAOYSA-N | SCHEMBL1002665 | EN300-103387 | MFCD06290488 | AKOS000113936 | 4-hydroxy-3-(prop-2-en-1-yl)benzaldehyde | 3-allyl 4-hydroxybenzaldehyde | FT-0754261 | Z57842085 | BS-36666 | 4-hydroxy-3-prop-2-enyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID10406059 | W-204809 | HDZJQLIQQWIJBW-UHFFFAOYSA-N | SCHEMBL1002665 | EN300-103387 | MFCD06290488 | AKOS000113936 | 4-hydroxy-3-(prop-2-en-1-yl)benzaldehyde | 3-allyl 4-hydroxybenzaldehyde | FT-0754261 | Z57842085 | BS-36666 | 4-hydroxy-3-prop-2-enyl

Spezifikationen & Reinheit

≥95%

Rechtliche Informationen

Product of ChemBridge Corp.

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C=CCC1=C(C=CC(=C1)C=O)O
• IUPAC Name: 4-hydroxy-3-prop-2-enylbenzaldehyde
• InChIKey: HDZJQLIQQWIJBW-UHFFFAOYSA-N
• INCHI: 1S/C10H10O2/c1-2-3-9-6-8(7-11)4-5-10(9)12/h2,4-7,12H,1,3H2
• Isomere SMILES: C=CCC1=C(C=CC(=C1)C=O)O
• WGK Deutschland: 3
• Molekulargewicht: 162.19
• Reaxy-Rn: 2083033
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2083033&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Aryl-aldehydes
            • Ebene7 Benzaldehydes
              • Ebene8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
• 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: 162.180 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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