Cas no 127053-22-9 (Dehydro Nabumetone)

Dehydro Nabumetone structure
Dehydro Nabumetone structure
Product Name:Dehydro Nabumetone
CAS No:127053-22-9
MF:C15H14O2
MW:226.270464420319
CID:833028
PubChem ID:9859375
Update Time:2025-04-19

Dehydro Nabumetone Chemical and Physical Properties

Names and Identifiers

    • Nabumetone Related Compound A
    • Dehydro Nabumetone
    • (E)-4-(6-Methoxynaphthalen-2-yl)but-3-en-2-one
    • (E)-4-(6-Methoxy-2-naphthalenyl)-3-buten-2-one
    • NABUMETONE RELATED COMPOUND A (15 MG) (1-(6-METHOXY-2-NAPHTHYL)-BUT-1-EN-3-ONE)
    • MFCD09029502
    • 3-Buten-2-one, 4-(6-methoxy-2-naphthalenyl)-, (E)-
    • 0J1W17F0WZ
    • AKOS005254478
    • 4-(6-methoxy-2-naphthalenyl)-3-buten-zone
    • 127053-22-9
    • G81477
    • NABUMETONE IMPURITY D [EP IMPURITY]
    • 4-(6-Methoxynaphthalen-2-yl)but-3-en-2-one, (E)-
    • CHEMBL3278695
    • BBL100450
    • 4-(6-methoxy-2-naphthalenyl)-3-buten-2-one
    • (3E)-4-(6-methoxynaphthalen-2-yl)but-3-en-2-one
    • Q27236842
    • 56600-90-9
    • 4-(6-Methox-2-Naphthalenyl)-3-buten-zone
    • CS-0272030
    • AC-16727
    • 4-(6-METHOXYNAPHTHALEN-2-YL)BUT-3-EN-2-ONE
    • Nabumetone impurity D [EP]
    • EN300-1853881
    • 1-(6'-Methoxy-2'-naphthyl)-but-1-en-3-one, (E)-
    • UNII-0J1W17F0WZ
    • STL554244
    • (E)-4-(6-Methoxynaphthalen-2-yl)but-3-en-2-one; Nabumetone Imp. D (EP); Nabumetone Impurity D
    • MDL: MFCD09029502
    • Inchi: 1S/C15H14O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h3-10H,1-2H3/b4-3+
    • InChI Key: ODKROFHKPKRFPM-ONEGZZNKSA-N
    • SMILES: O(C)C1C=CC2=CC(/C=C/C(C)=O)=CC=C2C=1

Computed Properties

  • Exact Mass: 226.099379685g/mol
  • Monoisotopic Mass: 226.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 295
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.119±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 120-121 oC (ethanol )
  • Solubility: Almost insoluble (0.043 g/l) (25 o C),

Dehydro Nabumetone Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

Dehydro Nabumetone Pricemore >>

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