Cas no 17513-40-5 (7-methylbenzo[a]anthracene-12-carbaldehyde)

7-methylbenzo[a]anthracene-12-carbaldehyde structure
17513-40-5 structure
Product Name:7-methylbenzo[a]anthracene-12-carbaldehyde
CAS No:17513-40-5
MF:C20H14O
MW:270.324565410614
CID:1367994
PubChem ID:28577
Update Time:2025-04-20

7-methylbenzo[a]anthracene-12-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 7-methylbenzo[a]anthracene-12-carbaldehyde
    • LS-27693
    • BENZ(a)ANTHRACENE-12-CARBOXALDEHYDE, 7-METHYL-
    • 7-Methyl-12-formyl-benz[a]anthracen
    • 7-Methylbenz(a)anthracene-12-carboxaldehyde
    • AC1L1FMG
    • Benz[a]anthracene-12-carboxaldehyde, 7-methyl-
    • BRN 2333173
    • 12-Formyl-7-methylbenz[a]anthracene
    • 12-Formyl-7-methylbenz(a)anthracene
    • 7-Methyl-12-formyl-benz&lt
    • a&gt
    • anthracen
    • 7-Methylbenz[a]anthracene-12-carbaldehyde
    • 7-Methyl-12-formyl-benz< a> anthracen
    • FPNFYDYIOKGCPS-UHFFFAOYSA-N
    • 7-Methylbenzo[a]anthracene-12-carbaldehyde #
    • 17513-40-5
    • DTXSID80169942
    • Inchi: 1S/C20H14O/c1-13-15-7-4-5-9-18(15)19(12-21)20-16(13)11-10-14-6-2-3-8-17(14)20/h2-12H,1H3
    • InChI Key: FPNFYDYIOKGCPS-UHFFFAOYSA-N
    • SMILES: O=CC1C2C=CC=CC=2C(C)=C2C=CC3C=CC=CC=3C2=1

Computed Properties

  • Exact Mass: 270.10452
  • Monoisotopic Mass: 270.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 389
  • 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: 5.5
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.0717 (rough estimate)
  • Boiling Point: 373.44°C (rough estimate)
  • Refractive Index: 1.6700 (estimate)
  • PSA: 17.07
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