Cas no 133950-66-0 (3-indoxyl caprylate)

3-indoxyl caprylate structure
3-indoxyl caprylate structure
Product Name:3-indoxyl caprylate
CAS No:133950-66-0
MF:C16H21NO2
MW:259.3434445858
CID:899860
PubChem ID:14821423
Update Time:2025-04-19

3-indoxyl caprylate Chemical and Physical Properties

Names and Identifiers

    • 3-indoxyl caprylate
    • 3-INDOXYL OCTANOATE
    • caprylate d'indoxyle
    • Y-CAPRYLATE
    • 1H-indol-3-yloctanoate
    • SCHEMBL1121806
    • 1H-indol-3-yl octanoate
    • MFCD04972083
    • 133950-66-0
    • I-5690
    • FD10326
    • MDL： MFCD04972083
    • Inchi： 1S/C16H21NO2/c1-2-3-4-5-6-11-16(18)19-15-12-17-14-10-8-7-9-13(14)15/h7-10,12,17H,2-6,11H2,1H3
    • InChI Key： AAJGQCIQSZVTAL-UHFFFAOYSA-N
    • SMILES： O(C1=CNC2C=CC=CC1=2)C(CCCCCCC)=O

Computed Properties

  • Exact Mass: 259.15700
  • Monoisotopic Mass: 259.157228913g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 8
  • Complexity: 280
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5
  • Topological Polar Surface Area: 42.1?2

Experimental Properties

  • Density: 1.087±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (7.8E-3 g/L) (25 oC),
  • PSA: 42.09000
  • LogP: 4.43380

3-indoxyl caprylate Pricemore >>

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abcr
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