Cas no 605-14-1 (Serpentinic acid)

Serpentinic acid structure
Serpentinic acid structure
Product Name:Serpentinic acid
CAS No:605-14-1
MF:C20H18N2O3
MW:334.368525028229
CID:837214
PubChem ID:12315476
Update Time:2025-04-19

Serpentinic acid Chemical and Physical Properties

Names and Identifiers

    • Serpentinic acid
    • Bromoacetonitrile
    • (19alpha)-16-Carboxy-3,4,5,6,16,17-hexadehydro-19-methyloxayohimbanium inner salt
    • [ "" ]
    • 605-14-1
    • Inchi: 1S/C20H18N2O3/c1-11-15-9-22-7-6-13-12-4-2-3-5-17(12)21-19(13)18(22)8-14(15)16(10-25-11)20(23)24/h2-7,10-11,14-15H,8-9H2,1H3,(H,23,24)
    • InChI Key: UFDPRYZHVYKRKM-UHFFFAOYSA-N
    • SMILES: CC1C2C(CC3C4=C(C5C([N-]4)=CC=CC=5)C=C[N+]=3C2)C(C(=O)O)=CO1

Computed Properties

  • Exact Mass: 335.14000
  • Monoisotopic Mass: 335.13956747g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 1
  • Complexity: 592
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 66.2?2

Experimental Properties

  • Color/Form: C20H19N2O3
  • PSA: 66.20000
  • LogP: 2.78430

Serpentinic acid Security Information

  • Storage Condition:Store at room temperature, 2-8 ℃ is better

Serpentinic acid Pricemore >>

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