Cas no 828-52-4 (4-(Hydroxymethyl)bicyclo2.2.2octane-1-carboxylic acid)

4-(Hydroxymethyl)bicyclo2.2.2octane-1-carboxylic acid structure
828-52-4 structure
Product Name:4-(Hydroxymethyl)bicyclo2.2.2octane-1-carboxylic acid
CAS No:828-52-4
MF:C10H16O3
MW:184.232243537903
MDL:MFCD20640208
CID:731917
PubChem ID:301131
Update Time:2025-09-22

4-(Hydroxymethyl)bicyclo2.2.2octane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid
    • 1-(hydroxymethyl)bicyclo[2.2.2]octane-4-carboxylic acid
    • Bicyclo[2.2.2]octane-1-carboxylicacid, 4-(hydroxymethyl)-
    • 4-HYDROXYMETHYL-BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID
    • AK102744
    • NSC177415
    • CPVMAYNPSFMOGK-UHFFFAOYSA-N
    • 2806AC
    • ZB1475
    • FCH1219857
    • OR312494
    • AX8234283
    • ST24043097
    • 4-Hydroxymethylbicyclo[2.2.2]octane-1-carboxylic acid
    • 4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid (ACI)
    • NSC 177415
    • DTXSID00306539
    • AKOS006329185
    • SCHEMBL20944070
    • 828-52-4
    • 4-(Hydroxymethyl)bicyclo(2.2.2)octane-1-carboxylic acid
    • O11092
    • NSC-177415
    • EN300-198571
    • MFCD20640208
    • A1-01558
    • DS-3928
    • DA-18958
    • AKOS016005512
    • 4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylicacid
    • 4-(Hydroxymethyl)bicyclo2.2.2octane-1-carboxylic acid
    • MDL: MFCD20640208
    • Inchi: 1S/C10H16O3/c11-7-9-1-4-10(5-2-9,6-3-9)8(12)13/h11H,1-7H2,(H,12,13)
    • InChI Key: CPVMAYNPSFMOGK-UHFFFAOYSA-N
    • SMILES: O=C(C12CCC(CC1)(CO)CC2)O

Computed Properties

  • Exact Mass: 184.11
  • Monoisotopic Mass: 184.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 210
  • 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
  • Topological Polar Surface Area: 57.5
  • XLogP3: 0.7

Experimental Properties

  • Density: 1.285
  • Boiling Point: 332.7°C at 760 mmHg
  • Flash Point: 169.2°C
  • Refractive Index: 1.571
  • PSA: 57.53000
  • LogP: 1.40390

4-(Hydroxymethyl)bicyclo2.2.2octane-1-carboxylic acid Security Information

4-(Hydroxymethyl)bicyclo2.2.2octane-1-carboxylic acid Pricemore >>

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