Cas no 7074-12-6 (3-(4-methoxyphenyl)butan-2-one)

3-(4-methoxyphenyl)butan-2-one structure
7074-12-6 structure
Product Name:3-(4-methoxyphenyl)butan-2-one
CAS No:7074-12-6
MF:C11H14O2
MW:178.227663516998
CID:975563
PubChem ID:316794
Update Time:2025-04-19

3-(4-methoxyphenyl)butan-2-one Chemical and Physical Properties

Names and Identifiers

    • 3-(4-methoxyphenyl)butan-2-one
    • 3-p-methoxyphenyl-2-butanone; 3-(4-methoxy-phenyl)-butan-2-one; NSC245177; MCULE-9944459924; 3-(4-Methoxy-phenyl)-butan-2-on; AC1L7UNQ; AKOS015784485; FT-0691913;
    • Z1276728136
    • NSC245177
    • 7074-12-6
    • SCHEMBL20608577
    • NSC-245177
    • EN300-97026
    • DTXSID40311768
    • AKOS015784485
    • 3-(p-methoxyphenyl)-2-butanone
    • DS-004581
    • Inchi: 1S/C11H14O2/c1-8(9(2)12)10-4-6-11(13-3)7-5-10/h4-8H,1-3H3
    • InChI Key: OWMXLURRBPTXHT-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(=CC=1)C(C(C)=O)C

Computed Properties

  • Exact Mass: 178.09942
  • Monoisotopic Mass: 178.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 169
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.006
  • Boiling Point: 260.6°C at 760 mmHg
  • Flash Point: 104.3°C
  • Refractive Index: 1.496
  • PSA: 26.3
  • LogP: 2.38770

3-(4-methoxyphenyl)butan-2-one Pricemore >>

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