Cas no 68535-61-5 (Benzoicacid, 5-acetyl-2-methoxy-)

Benzoicacid, 5-acetyl-2-methoxy- structure
68535-61-5 structure
Product Name:Benzoicacid, 5-acetyl-2-methoxy-
CAS No:68535-61-5
MF:C10H10O4
MW:194.184003353119
CID:499752
PubChem ID:18954591
Update Time:2025-10-05

Benzoicacid, 5-acetyl-2-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzoicacid, 5-acetyl-2-methoxy-
    • 5-acetyl-2-methoxybenzoic acid
    • 2-Methoxy-5-acetylbenzoic acid
    • GJDAMLVEFRMIHZ-UHFFFAOYSA-N
    • SCHEMBL2087813
    • Benzoic acid, 5-acetyl-2-methoxy-
    • Benzoicacid,5-acetyl-2-methoxy-
    • E90775
    • 68535-61-5
    • DTXSID90596826
    • CS-0195945
    • MFCD12827984
    • Inchi: 1S/C10H10O4/c1-6(11)7-3-4-9(14-2)8(5-7)10(12)13/h3-5H,1-2H3,(H,12,13)
    • InChI Key: GJDAMLVEFRMIHZ-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(C(C)=O)=CC=1C(=O)O

Computed Properties

  • Exact Mass: 194.05790880g/mol
  • Monoisotopic Mass: 194.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 236
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • Density: 1.232±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 393.388°C at 760 mmHg
  • Flash Point: 160.047°C
  • Refractive Index: 1.546
  • Solubility: Slightly soluble (1.8 g/l) (25 o C),

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