Cas no 110318-81-5 (Naphth[2,3-a]azulene-11-carboxaldehyde, 5,12-dimethoxy-)

Naphth[2,3-a]azulene-11-carboxaldehyde, 5,12-dimethoxy- structure
110318-81-5 structure
Product Name:Naphth[2,3-a]azulene-11-carboxaldehyde, 5,12-dimethoxy-
CAS No:110318-81-5
MF:C21H16O3
MW:316.349946022034
CID:1193863
PubChem ID:13928536
Update Time:2025-04-20

Naphth[2,3-a]azulene-11-carboxaldehyde, 5,12-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • Naphth[2,3-a]azulene-11-carboxaldehyde, 5,12-dimethoxy-
    • 5,12-Dimethoxynaphth[2,3-a]azulen-11-carboxaldehyd
    • ACMC-20md7z
    • CTK0D4931
    • 5,12-Dimethoxynaphth&lt
    • 2,3-a&gt
    • azulen-11-carboxaldehyd
    • AGN-PC-00ODXN
    • 5,12-Dimethoxynaphth[2,3-a]azulen-11-carboxaldehyd; ACMC-20md7z; CTK0D4931; 5,12-Dimethoxynaphth< 2,3-a> azulen-11-carboxaldehyd; AGN-PC-00ODXN;
    • 5,12-DIMETHOXYNAPHTHO[2,3-A]AZULENE-11-CARBALDEHYDE
    • DTXSID70552687
    • 110318-81-5
    • Inchi： 1S/C21H16O3/c1-23-20-15-10-6-7-11-16(15)21(24-2)19-17(12-22)13-8-4-3-5-9-14(13)18(19)20/h3-12H,1-2H3
    • InChI Key： NJFZQNXFPUESJG-UHFFFAOYSA-N
    • SMILES： O(C)C1=C2C=CC=CC2=C(C2=C(C=O)C3=CC=CC=CC3=C21)OC

Computed Properties

  • Exact Mass: 316.10998
  • Monoisotopic Mass: 316.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 450
  • 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: 4.8
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53

Naphth[2,3-a]azulene-11-carboxaldehyde, 5,12-dimethoxy- Related Literature

110318-81-5 (Naphth[2,3-a]azulene-11-carboxaldehyde, 5,12-dimethoxy-) Related Products

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