Cas no 344298-81-3 (Isovaleric Acid-d9)

Isovaleric Acid-d9 structure
Isovaleric Acid-d9 structure
Product Name:Isovaleric Acid-d9
CAS No:344298-81-3
MF:C5H10O2
MW:111.187157154083
CID:302461
PubChem ID:102601087
Update Time:2025-04-19

Isovaleric Acid-d9 Chemical and Physical Properties

Names and Identifiers

    • Butanoic-2,2,3,4,4,4-d6acid, 3-(methyl-d3)- (9CI)
    • 3-METHYLBUTYRIC-D9 ACID
    • Isovaleric Acid-d9
    • 3-(Methyl-d2)butanoic-2,2,3,4,4,4-d6 acid-d
    • 344298-81-3
    • Isovaleric-d9 acid, >=98 atom % D, >=97% (CP)
    • A935623
    • HY-W012980S
    • 2,2,3,4,4,4-hexadeuterio-3-(trideuteriomethyl)butanoic acid
    • SCHEMBL21957851
    • MS-22741
    • 3-(?H?)methyl(?H?)butanoic acid
    • D99573
    • CS-0254923
    • 3-Methylbutyric-d9Acid:(344298-81-3)
    • Inchi: 1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i1D3,2D3,3D2,4D
    • InChI Key: GWYFCOCPABKNJV-CBZKUFJVSA-N
    • SMILES: OC(C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])=O

Computed Properties

  • Exact Mass: 111.124570271g/mol
  • Monoisotopic Mass: 111.124570271g/mol
  • Isotope Atom Count: 9
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 66.5
  • 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: 37.3?2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.0±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 175.3±8.0 °C at 760 mmHg
  • Flash Point: 70.6±0.0 °C
  • Vapor Pressure: No data available

Isovaleric Acid-d9 Security Information

Isovaleric Acid-d9 Pricemore >>

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