Cas no 93523-67-2 (Sodium 4-methyl-2-oxopentanoate-d)

Sodium 4-methyl-2-oxopentanoate-d structure
93523-67-2 structure
Product Name:Sodium 4-methyl-2-oxopentanoate-d
CAS No:93523-67-2
MF:C6H9NaO3
MW:155.142118215561
CID:801416
PubChem ID:23696301
Update Time:2025-04-19

Sodium 4-methyl-2-oxopentanoate-d Chemical and Physical Properties

Names and Identifiers

    • Pentanoic-5,5,5-d3acid, 4-methyl-2-oxo-, sodium salt (9CI)
    • SODIUM 2-KETO-4-METHYL-D3-PENTANOATE
    • Sodium 4-methyl-2-oxopentanoate-d
    • HY-W017387S
    • SCHEMBL1330114
    • CS-0226272
    • Sodium 4-methyl-2-oxopentanoate-d3
    • 2-KETO-4-METHYL-D3-PENTANOIC ACID SODIUM SALT
    • sodium;5,5,5-trideuterio-4-methyl-2-oxopentanoate
    • 2-Keto-4-(methyl-d3)-pentanoic acid sodium salt
    • D98959
    • Sodium 2-Keto-4(R,S)-methyl-d3-pentanoate
    • 93523-67-2
    • 2-Keto-4-methyl-d3-pentanoic acid sodium salt, 98 atom % D
    • Inchi: 1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1/i1D3;
    • InChI Key: IXFAZKRLPPMQEO-NIIDSAIPSA-M
    • SMILES: [Na+].O=C(C(=O)[O-])CC(C)C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 155.06400
  • Monoisotopic Mass: 155.06376866g/mol
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 131
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 57.2?2

Experimental Properties

  • Melting Point: 280?°C (dec.)(lit.)
  • PSA: 57.20000
  • LogP: -0.64850

Sodium 4-methyl-2-oxopentanoate-d Pricemore >>

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