Cas no 72480-45-6 (Fatty acids, C9-28-neo-)

Fatty acids, C9-28-neo- structure
Fatty acids, C9-28-neo- structure
Product Name:Fatty acids, C9-28-neo-
CAS No:72480-45-6
MF:C19H38O2
MW:298.503826618195
CID:569190
PubChem ID:3085825
Update Time:2025-04-19

Fatty acids, C9-28-neo- Chemical and Physical Properties

Names and Identifiers

    • Fatty acids, C9-28-neo-
    • 16,16-dimethylheptadecanoic acid
    • NS00124757
    • 72480-45-6
    • Inchi： 1S/C19H38O2/c1-19(2,3)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18(20)21/h4-17H2,1-3H3,(H,20,21)
    • InChI Key： QQRQTTMJQJLXGQ-UHFFFAOYSA-N
    • SMILES： OC(CCCCCCCCCCCCCCC(C)(C)C)=O

Computed Properties

  • Exact Mass: 298.28734
  • Monoisotopic Mass: 298.287
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 15
  • Complexity: 240
  • 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: 7.6
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 0.886
  • Boiling Point: 411.1°C at 760 mmHg
  • Flash Point: 177.5°C
  • Refractive Index: 1.456
  • PSA: 37.3

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