Cas no 31671-77-9 (Anthracenecarboxaldehyde)

Anthracenecarboxaldehyde structure
Anthracenecarboxaldehyde structure
Product Name:Anthracenecarboxaldehyde
CAS No:31671-77-9
MF:C15H10O
MW:206.239304065704
CID:310795
PubChem ID:35864
Update Time:2025-04-19

Anthracenecarboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • Anthracenecarboxaldehyde
    • Anthraldehyde(7CI)
    • anthral
    • 31671-77-9
    • XJDFBLQCLSBCGQ-UHFFFAOYSA-N
    • anthraldehyde
    • 1140-79-0
    • anthracene-1-carbaldehyde
    • 1-Anthracenecarbaldehyde
    • SCHEMBL39718
    • DTXSID60185564
    • Inchi: 1S/C15H10O/c16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-10H
    • InChI Key: XJDFBLQCLSBCGQ-UHFFFAOYSA-N
    • SMILES: O=CC1=CC=CC2=CC3C=CC=CC=3C=C21

Computed Properties

  • Exact Mass: 206.0732
  • Monoisotopic Mass: 206.073165
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 260
  • 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: 3.8
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Density: 1.217
  • Boiling Point: 405.7°C at 760 mmHg
  • Flash Point: 269.2°C
  • Refractive Index: 1.745
  • PSA: 17.07

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