Cas no 898289-29-7 (2-(tetrahydropyran-4-yloxy)benzoic Acid)

2-(tetrahydropyran-4-yloxy)benzoic Acid structure
898289-29-7 structure
Product Name:2-(tetrahydropyran-4-yloxy)benzoic Acid
CAS No:898289-29-7
MF:C12H14O4
MW:222.237164020538
MDL:MFCD09025869
CID:715035
PubChem ID:21754839
Update Time:2025-04-19

2-(tetrahydropyran-4-yloxy)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-[(tetrahydro-2H-pyran-4-yl)oxy]-
    • 2-(oxan-4-yloxy)benzoic acid
    • 2-(tetrahydropyran-4-yloxy)benzoic acid
    • 2-(tetrahydropyran-4-yloxy)benzoic acid, AldrichCPR
    • DTXSID30617721
    • 898289-29-7
    • MFCD09025869
    • AKOS011512665
    • CS-0364201
    • 2-((Tetrahydro-2H-pyran-4-yl)oxy)benzoic acid
    • 2-[(Oxan-4-yl)oxy]benzoic acid
    • FT-0744405
    • SCHEMBL8890812
    • MS-22401
    • DB-078508
    • 2-(tetrahydropyran-4-yloxy)benzoic Acid
    • MDL: MFCD09025869
    • Inchi: 1S/C12H14O4/c13-12(14)10-3-1-2-4-11(10)16-9-5-7-15-8-6-9/h1-4,9H,5-8H2,(H,13,14)
    • InChI Key: AVRDARROMNUMER-UHFFFAOYSA-N
    • SMILES: O1CCC(CC1)OC1C=CC=CC=1C(=O)O

Computed Properties

  • Exact Mass: 222.08900
  • Monoisotopic Mass: 222.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 235
  • 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: 2
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 389.2±32.0 °C at 760 mmHg
  • Flash Point: 151.8±18.6 °C
  • Refractive Index: 1.558
  • PSA: 55.76000
  • LogP: 1.94260
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

2-(tetrahydropyran-4-yloxy)benzoic Acid Security Information

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