Cas no 35664-94-9 (1-Methylcyclooctane-1-carboxylic acid)

1-Methylcyclooctane-1-carboxylic acid structure
35664-94-9 structure
Product Name:1-Methylcyclooctane-1-carboxylic acid
CAS No:35664-94-9
MF:C10H18O2
MW:170.248723506927
MDL:MFCD20643679
CID:5617291
PubChem ID:12757490
Update Time:2024-03-01

1-Methylcyclooctane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 35664-94-9
    • 1-Methylcyclooctanecarboxylic acid
    • DTXSID001297717
    • 1-methylcyclooctane-1-carboxylic acid
    • SCHEMBL11922843
    • EN300-3025921
    • AKOS017531213
    • Z1262523337
    • 1-Methylcyclooctane-1-carboxylic acid
    • MDL: MFCD20643679
    • Inchi: 1S/C10H18O2/c1-10(9(11)12)7-5-3-2-4-6-8-10/h2-8H2,1H3,(H,11,12)
    • InChI Key: NVHVUKCFHWOQQR-UHFFFAOYSA-N
    • SMILES: OC(C1(C)CCCCCCC1)=O

Computed Properties

  • Exact Mass: 170.130679813g/mol
  • Monoisotopic Mass: 170.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 155
  • 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: 3.3
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 0.986±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 282.4±8.0 °C(Predicted)
  • pka: 4.86±0.20(Predicted)

1-Methylcyclooctane-1-carboxylic acid Pricemore >>

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