4'-Hydroxyheptanophenone - ≥98% , CAS No.14392-72-4

CAS: 14392-72-4 Cat. No.: H156989 Summenformel: C₁₃H₁₈O₂ Molekulargewicht: 206.29 EG-Nummer: 679-992-8

GRADE & PURITY ≥98%

Synonyms

SCHEMBL1751770 | AC-11539 | DTXSID40342072 | 4`-Hydroxyheptanophenone | 4'-Hydroxy Heptanophenone | FT-0637072 | p-hydroxyheptanophenone | MFCD00191523 | BDBM50189958 | 1-(4-Hydroxyphenyl)-1-heptanone, AldrichCPR | 1-(4-hydroxyphenyl)heptan-1-one | AS-123

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL1751770 | AC-11539 | DTXSID40342072 | 4`-Hydroxyheptanophenone | 4'-Hydroxy Heptanophenone | FT-0637072 | p-hydroxyheptanophenone | MFCD00191523 | BDBM50189958 | 1-(4-Hydroxyphenyl)-1-heptanone, AldrichCPR | 1-(4-hydroxyphenyl)heptan-1-one | AS-123

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488190406
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190406
• Kanonisches Lächeln: CCCCCCC(=O)C1=CC=C(C=C1)O
• IUPAC Name: 1-(4-hydroxyphenyl)heptan-1-one
• InChIKey: MAZPQHJYGKZQEA-UHFFFAOYSA-N
• INCHI: 1S/C13H18O2/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,14H,2-6H2,1H3
• Isomere SMILES: CCCCCCC(=O)C1=CC=C(C=C1)O
• Molekulargewicht: 206.29
• Reaxy-Rn: 2048116
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048116&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Butyrophenones Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Aryl alkyl ketone - 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 alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 220 °C/15 mmHg
• Schmelzpunkt (°C): 92.0 to 95.0 °C
• Molekulargewicht: 206.280 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 206.131 Da
• Monoisotopic Mass: 206.131 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 181.000
• 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