Cas no 23944-47-0 (Trachelanthic Acid)

Trachelanthic Acid structure
Trachelanthic Acid structure
Product Name:Trachelanthic Acid
CAS No:23944-47-0
MF:C7H14O4
MW:162.183662891388
CID:281329
Update Time:2025-04-19

Trachelanthic Acid Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methyl-, (2S)-rel-
    • 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid
    • Trachelanthic Acid
    • Inchi: 1S/C7H14O4/c1-4(2)7(11,5(3)8)6(9)10/h4-5,8,11H,1-3H3,(H,9,10)/t5-,7+/m0/s1
    • InChI Key: KXEISHUBUXWXGY-CAHLUQPWSA-N
    • SMILES: O[C@@](C(=O)O)([C@H](C)O)C(C)C

Computed Properties

  • Exact Mass: 162.08922
  • Monoisotopic Mass: 162.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

Experimental Properties

  • Density: 1.205
  • Boiling Point: 331.7°Cat760mmHg
  • Flash Point: 168.6°C
  • Refractive Index: 1.491
  • PSA: 77.76

Trachelanthic Acid Pricemore >>

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