Cas no 5980-21-2 (3-Hydroxy-4-methylpentanoic Acid)

3-Hydroxy-4-methylpentanoic Acid structure
5980-21-2 structure
Product Name:3-Hydroxy-4-methylpentanoic Acid
CAS No:5980-21-2
MF:C6H12O3
MW:132.157682418823
CID:337256
PubChem ID:12643869
Update Time:2025-04-19

3-Hydroxy-4-methylpentanoic Acid Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid, 3-hydroxy-4-methyl-
    • 3-Hydroxy-4-methylpentanoic acid
    • 3-HYDROXY-4-METHYLVALERATE
    • 3-hydroxy-4-methylpentanoicacid
    • EN300-115227
    • AKOS011683010
    • NS-01053
    • DTXSID40505483
    • SCHEMBL666609
    • MFCD16300724
    • 3-Hydroxy-isocapronsaure
    • 5980-21-2
    • FT-0696788
    • 3-Hydroxy-4-methylpentanoic Acid
    • Inchi: 1S/C6H12O3/c1-4(2)5(7)3-6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
    • InChI Key: BOAHYOWLXYZJSN-UHFFFAOYSA-N
    • SMILES: OC(CC(=O)O)C(C)C

Computed Properties

  • Exact Mass: 132.07866
  • Monoisotopic Mass: 132.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 98.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Tautomer Count: nothing
  • Surface Charge: 0
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53

3-Hydroxy-4-methylpentanoic Acid Pricemore >>

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