Cas no 71005-12-4 (3-Oxoindan-4-carboxylic acid)

3-Oxoindan-4-carboxylic acid structure
3-Oxoindan-4-carboxylic acid structure
Product Name:3-Oxoindan-4-carboxylic acid
CAS No:71005-12-4
MF:C10H8O3
MW:176.168723106384
MDL:MFCD09758978
CID:836371
PubChem ID:12676392
Update Time:2025-04-19

3-Oxoindan-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Oxoindan-4-carboxylic acid
    • 3-Oxo-2,3-dihydro-1H-indene-4-carboxylic acid
    • 1H-Indene-4-carboxylic acid, 2,3-dihydro-3-oxo-
    • 1H-Indene-4-carboxylic-acid-2-3-dihydro-3-oxo-
    • 2,3-dihydro-3-oxo-1H-Indene-4-carboxylic acid
    • 3-oxo-1,2-dihydroindene-4-carboxylic acid
    • 3-Oxoindan-4-carboxy
    • 3-OXO-INDAN-4-CARBOXYLIC ACID
    • 1-Indanone-7-carboxylic acid
    • 3-Oxo-4-indancarboxylic Acid
    • 3-oxoindane-4-carboxylic acid
    • BC688387
    • BC653932
    • W8011
    • 2,3-Dihydro-3-oxo-indene-4-carboxylic Acid
    • 2,3-DIHYDRO-3-OXO-1H-INDENE-4-CARBOXYLIC ACI
    • 71005-12-4
    • EN300-263522
    • DS-12951
    • Z1198224378
    • WLZ3296
    • DTXSID40506531
    • FT-0673374
    • F52858
    • AKOS006283460
    • CS-0186849
    • MFCD09758978
    • 3-Oxoindan-4-carboxylicacid
    • DB-074366
    • MDL: MFCD09758978
    • Inchi: 1S/C10H8O3/c11-8-5-4-6-2-1-3-7(9(6)8)10(12)13/h1-3H,4-5H2,(H,12,13)
    • InChI Key: PHXDJUCKRPYDTG-UHFFFAOYSA-N
    • SMILES: O=C1C2C(C(=O)O)=CC=CC=2CC1

Computed Properties

  • Exact Mass: 176.04700
  • Monoisotopic Mass: 176.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 247
  • 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: 1.2
  • Topological Polar Surface Area: 54.4

Experimental Properties

  • Density: 1.381±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 159.5-161.5 oC
  • Boiling Point: 383.1±31.0 °C at 760 mmHg
  • Flash Point: 199.6±21.3 °C
  • Solubility: Very slightly soluble (0.85 g/l) (25 o C),
  • PSA: 54.37000
  • LogP: 1.51370
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

3-Oxoindan-4-carboxylic acid Security Information

3-Oxoindan-4-carboxylic acid Pricemore >>

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