Cas no 153474-35-2 (Propanoic-13C3 Acid)

Propanoic-13C3 Acid structure
Propanoic-13C3 Acid structure
Product Name:Propanoic-13C3 Acid
CAS No:153474-35-2
MF:C3H6O2
MW:77.0565056800842
CID:3161845
PubChem ID:9877334
Update Time:2025-04-21

Propanoic-13C3 Acid Chemical and Physical Properties

Names and Identifiers

    • propanoic acid
    • Propanoic acid-13C3
    • PROPIONIC ACID (13C3)
    • [13C3]-Propanoic Acid
    • 153474-35-2
    • J-009021
    • [U-13C3]Propionate; Propionic acid-13C3
    • DTXSID20432142
    • Propionic acid-13C3, 99 atom % 13C
    • Propanoic-13C3 Acid
    • Propionic Acid (13C3, 99%)
    • (1,2,3-13C3)propanoic acid
    • Propionic acid-13C3
    • DTXCID20382971
    • Inchi: 1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1+1,2+1,3+1
    • InChI Key: XBDQKXXYIPTUBI-VMIGTVKRSA-N
    • SMILES: O[13C]([13CH2][13CH3])=O

Computed Properties

  • Exact Mass: 77.046843936g/mol
  • Monoisotopic Mass: 77.046843936g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 5
  • Rotatable Bond Count: 1
  • Complexity: 40.2
  • 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: 0.3
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.024?g/mL?at 25?°C
  • Melting Point: -24--23?°C(lit.)
  • Boiling Point: 141?°C(lit.)
  • Flash Point: 125?°F

Propanoic-13C3 Acid Security Information

  • Signal Word:warning
  • Hazard Statement: H303+H313+H333
  • Warning Statement: P264+P280+P305+P351+P338+P337+P313
  • Hazardous Material transportation number:UN 3463 8/PG 2
  • WGK Germany:1
  • Hazard Category Code: 34
  • Safety Instruction: 23-36-45
  • Hazardous Material Identification: C
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

Propanoic-13C3 Acid Pricemore >>

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