Cas no 699527-72-5 (3-methyl-2-(pyridin-3-yl)butanoic acid)

3-methyl-2-(pyridin-3-yl)butanoic acid structure
699527-72-5 structure
Product Name:3-methyl-2-(pyridin-3-yl)butanoic acid
CAS No:699527-72-5
MF:C10H13NO2
MW:179.215722799301
CID:4657307
PubChem ID:62393600
Update Time:2024-10-28

3-methyl-2-(pyridin-3-yl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridineacetic acid, α-(1-methylethyl)-
    • 3-methyl-2-(pyridin-3-yl)butanoic acid
    • SCHEMBL12698775
    • AKOS011680618
    • 3-methyl-2-(pyridin-3-yl)butanoicacid
    • 699527-72-5
    • EN300-105014
    • A-(1-methylethyl)-
    • Z982129826
    • 3-methyl-2-pyridin-3-ylbutanoic acid
    • 3-Pyridineacetic acid,
    • F88370
    • CS-0230658
    • Inchi: 1S/C10H13NO2/c1-7(2)9(10(12)13)8-4-3-5-11-6-8/h3-7,9H,1-2H3,(H,12,13)
    • InChI Key: ZKDCKGIFVNLHSZ-UHFFFAOYSA-N
    • SMILES: C(C1=CN=CC=C1)(C(=O)O)C(C)C

Computed Properties

  • Exact Mass: 179.094628657g/mol
  • Monoisotopic Mass: 179.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 180
  • 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: 1.7
  • Topological Polar Surface Area: 50.2?2

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